Registration Dossier

Identification

Display Name:
Vetiveria zizanioides, ext., acetylated
EC Number:
282-031-1
EC Name:
Vetiveria zizanioides, ext., acetylated
CAS Number:
84082-84-8

Type of substance

Composition:
UVCB
Origin:
organic

Total tonnage band

Total range:
1 - 10 tonnes per annum

REACH

Registered as:
FULL
Submitted:
Joint Submission

Publication dates

First published:
13-Feb-2018
Last modified:
15-Apr-2019

Chemical safety assessment

Performed for this substance:
NO

Compositions open all close all

Type:
boundary composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Constituent 2
Chemical structure
Reference substance name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Constituent 3
Chemical structure
Reference substance name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 4
Chemical structure
Reference substance name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
CAS Number:
22196-46-9
Molecular formula:
C15H22O
IUPAC Name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
Constituent 5
Chemical structure
Reference substance name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
CAS Number:
16981-90-1
Molecular formula:
C15H22O
IUPAC Name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Constituent 6
Chemical structure
Reference substance name:
rel-(1R,8aS)-1,8a-dimethyl-7-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(1R,8aS)-1,8a-dimethyl-7-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 7
Chemical structure
Reference substance name:
2-methoxy-4-prop-1-enylphenyl acetate
EC Number:
202-236-1
EC Name:
2-methoxy-4-prop-1-enylphenyl acetate
CAS Number:
93-29-8
Molecular formula:
C12H14O3
IUPAC Name:
2-methoxy-4-(prop-1-en-1-yl)phenyl acetate
Constituent 8
Chemical structure
Reference substance name:
rel-(1R,4aS,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,4aS,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Constituent 9
Chemical structure
Reference substance name:
rel-(3aR,6R,8aR)-7,7-dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one
CAS Number:
64550-95-4
Molecular formula:
C14H20O
IUPAC Name:
rel-(3aR,6R,8aR)-7,7-dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one
Constituent 10
Chemical structure
Reference substance name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
CAS Number:
31983-21-8
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
Constituent 11
Chemical structure
Reference substance name:
6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
CAS Number:
473-14-3
Molecular formula:
C15H24
IUPAC Name:
6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 12
Chemical structure
Reference substance name:
rel-(4R,4aR)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(4R,4aR)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene
Constituent 13
Chemical structure
Reference substance name:
rel-(1R,8aR)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
CAS Number:
317819-82-2
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,8aR)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
Constituent 14
Chemical structure
Reference substance name:
(1S,4aS)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenol
CAS Number:
116538-31-9
Molecular formula:
C15H26O
IUPAC Name:
(1S,4aS)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenol
Constituent 15
Chemical structure
Reference substance name:
[4R-(4α,4aα,6β)]-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one
EC Number:
225-124-4
EC Name:
[4R-(4α,4aα,6β)]-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one
CAS Number:
4674-50-4
Molecular formula:
C15H22O
IUPAC Name:
6-isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Constituent 16
Chemical structure
Reference substance name:
(2S)-2-[(4aR,8aS)-4a-methyl-8-methylene-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl]propyl acetate
CAS Number:
77429-54-0
Molecular formula:
C17H26O2
IUPAC Name:
(2S)-2-[(4aR,8aS)-4a-methyl-8-methylene-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl]propyl acetate
Constituent 17
Chemical structure
Reference substance name:
2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethylidene)-2-naphthyl acetate
EC Number:
254-657-5
EC Name:
2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethylidene)-2-naphthyl acetate
CAS Number:
39850-93-6
Molecular formula:
C17H26O2
IUPAC Name:
(4R,4aS)-6-isopropylidene-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl acetate
Constituent 18
Chemical structure
Reference substance name:
(1R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
CAS Number:
5951-61-1
Molecular formula:
C15H24
IUPAC Name:
(1R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
Constituent 19
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,5,6-hexahydronaphthalene
CAS Number:
16729-00-3
Molecular formula:
C15H24
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,5,6-hexahydronaphthalene
Constituent 20
Chemical structure
Reference substance name:
2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-yl acetate
CAS Number:
20489-46-7
Molecular formula:
C17H28O2
IUPAC Name:
2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-yl acetate
Constituent 21
Chemical structure
Reference substance name:
(1S,3aR,7S,7aS)-4-methyl-8-methylidene-7-(propan-2-yl)octahydro-1H-1,4-methanoindene
CAS Number:
22338-87-0
Molecular formula:
C15H24
IUPAC Name:
(1S,3aR,7S,7aS)-4-methyl-8-methylidene-7-(propan-2-yl)octahydro-1H-1,4-methanoindene
Constituent 22
Chemical structure
Reference substance name:
(1R,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
CAS Number:
36437-95-3
Molecular formula:
C15H24
IUPAC Name:
(1R,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 23
Chemical structure
Reference substance name:
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-yl acetate
CAS Number:
60031-93-8
Molecular formula:
C17H28O2
IUPAC Name:
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-yl acetate
Constituent 24
Chemical structure
Reference substance name:
2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yl acetate
CAS Number:
67996-61-6
Molecular formula:
C17H28O2
IUPAC Name:
2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yl acetate
Constituent 25
Chemical structure
Reference substance name:
1,5-dimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CAS Number:
71472-32-7
Molecular formula:
C15H22
IUPAC Name:
1,5-dimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
Constituent 26
Chemical structure
Reference substance name:
2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-yl acetate
CAS Number:
74803-82-0
Molecular formula:
C17H26O2
IUPAC Name:
2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-yl acetate
Constituent 27
Chemical structure
Reference substance name:
2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CAS Number:
76739-27-0
Molecular formula:
C15H22
IUPAC Name:
2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
Constituent 28
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
CAS Number:
77129-50-1
Molecular formula:
C15H20
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
Constituent 29
Chemical structure
Reference substance name:
1,1,3a,7-tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
CAS Number:
97408-24-7
Molecular formula:
C15H24
IUPAC Name:
1,1,3a,7-tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
Constituent 30
Chemical structure
Reference substance name:
[(3S,3aR,6R,8aS)-8,8-dimethyl-7-methylideneoctahydro-1H-3a,6-methanoazulen-3-yl]methyl acetate
CAS Number:
352457-48-8
Molecular formula:
C17H26O2
IUPAC Name:
[(3S,3aR,6R,8aS)-8,8-dimethyl-7-methylideneoctahydro-1H-3a,6-methanoazulen-3-yl]methyl acetate
Constituent 31
Chemical structure
Reference substance name:
1,8a-dimethyl-7-(propan-2-ylidene)octahydronaphthalen-4a(2H)-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
1,8a-dimethyl-7-(propan-2-ylidene)octahydronaphthalen-4a(2H)-yl acetate
Constituent 32
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl acetate
Constituent 33
Chemical structure
Reference substance name:
2-(4a,8-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)propan-2-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
2-(4a,8-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)propan-2-yl acetate
Constituent 34
Chemical structure
Reference substance name:
(2S,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2S,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Constituent 35
Chemical structure
Reference substance name:
(2R,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2R,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Constituent 36
Chemical structure
Reference substance name:
(2E)-2-(6,10-dimethylspiro[4.5]dec-6-en-2-ylidene)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2E)-2-(6,10-dimethylspiro[4.5]dec-6-en-2-ylidene)propyl acetate
Constituent 37
Chemical structure
Reference substance name:
(E)-2-methyl-3-((1S,3aS,7aR)-3a-methyl-7-methyleneoctahydro-1H-inden-1-yl)acrylaldehyde
CAS Number:
224794-18-7
Molecular formula:
C15H22O
IUPAC Name:
(E)-2-methyl-3-((1S,3aS,7aR)-3a-methyl-7-methyleneoctahydro-1H-inden-1-yl)acrylaldehyde
Constituent 38
Chemical structure
Reference substance name:
(3S,3aS,6S)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl acetate
CAS Number:
124601-88-3
Molecular formula:
C16H24O2
IUPAC Name:
(3S,3aS,6S)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl acetate
Constituent 39
Chemical structure
Reference substance name:
1-((2aS,3R)-2a,3-dimethyl-2a,3,4,5,7,7a-hexahydronaphtho[2,3-b]oxiren-1a(2H)-yl)ethan-1-one
CAS Number:
352457-29-5
Molecular formula:
C14H20O2
IUPAC Name:
1-((2aS,3R)-2a,3-dimethyl-2a,3,4,5,7,7a-hexahydronaphtho[2,3-b]oxiren-1a(2H)-yl)ethan-1-one
Constituent 40
Chemical structure
Reference substance name:
(3S,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
CAS Number:
28624-27-3
Molecular formula:
C15H22O
IUPAC Name:
(3S,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
Constituent 41
Chemical structure
Reference substance name:
(5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]deca-1,6-diene
CAS Number:
51196-11-3
Molecular formula:
C15H22
IUPAC Name:
(5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]deca-1,6-diene
Constituent 42
Chemical structure
Reference substance name:
(5R,10R)-10-methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene
CAS Number:
50763-70-7
Molecular formula:
C15H22
IUPAC Name:
(5R,10R)-10-methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene
Constituent 43
Chemical structure
Reference substance name:
(2R)-2-((5R)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2R)-2-((5R)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Constituent 44
Chemical structure
Reference substance name:
(2S)-2-((5S)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2S)-2-((5S)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Constituent 45
Chemical structure
Reference substance name:
(4aS,5R)-4a,5-dimethyl-3-(propan-2-ylidene)-1,2,3,4,4a,5,6,7-octahydronaphthalene
CAS Number:
51608-13-0
Molecular formula:
C15H24
IUPAC Name:
(4aS,5R)-4a,5-dimethyl-3-(propan-2-ylidene)-1,2,3,4,4a,5,6,7-octahydronaphthalene
Constituent 46
Chemical structure
Reference substance name:
((3S,3aS,6R)-7,7,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
CAS Number:
219133-58-1
Molecular formula:
C16H24O2
IUPAC Name:
((3S,3aS,6R)-7,7,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Constituent 47
Chemical structure
Reference substance name:
(3aS,6S)-3,6,7,7-tetramethyloctahydro-3a,6-ethanoinden-5-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
(3aS,6S)-3,6,7,7-tetramethyloctahydro-3a,6-ethanoinden-5-yl acetate
Constituent 48
Chemical structure
Reference substance name:
(4aS,8aR)-7-isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CAS Number:
27840-34-2
Molecular formula:
C15H24
IUPAC Name:
(4aS,8aR)-7-isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,5,8,8a-octahydronaphthalene
Constituent 49
Chemical structure
Reference substance name:
(3R,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
CAS Number:
28051-97-0
Molecular formula:
C15H22O
IUPAC Name:
(3R,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
Constituent 50
Reference substance name:
Likely sesquiterpine, MW 202
Molecular formula:
C15H22
IUPAC Name:
Likely sesquiterpine, MW 202
Constituent 51
Reference substance name:
Likely acetylated sesquiterpenes and acetylated sesquiterpene alcohols
IUPAC Name:
Likely acetylated sesquiterpenes and acetylated sesquiterpene alcohols
Constituent 52
Reference substance name:
Likely oxygenated sesquiterpenes
IUPAC Name:
Likely oxygenated sesquiterpenes
Constituent 53
Reference substance name:
Unknown constituent, MW 260
IUPAC Name:
Unknown constituent, MW 260
Constituent 54
Reference substance name:
unknown impurities
IUPAC Name:
unknown impurities
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Constituent 2
Chemical structure
Reference substance name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Constituent 3
Chemical structure
Reference substance name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 4
Chemical structure
Reference substance name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
CAS Number:
22196-46-9
Molecular formula:
C15H22O
IUPAC Name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
Constituent 5
Chemical structure
Reference substance name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
CAS Number:
16981-90-1
Molecular formula:
C15H22O
IUPAC Name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Constituent 6
Chemical structure
Reference substance name:
rel-(1R,8aS)-1,8a-dimethyl-7-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(1R,8aS)-1,8a-dimethyl-7-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 7
Chemical structure
Reference substance name:
2-methoxy-4-prop-1-enylphenyl acetate
EC Number:
202-236-1
EC Name:
2-methoxy-4-prop-1-enylphenyl acetate
CAS Number:
93-29-8
Molecular formula:
C12H14O3
IUPAC Name:
2-methoxy-4-(prop-1-en-1-yl)phenyl acetate
Constituent 8
Chemical structure
Reference substance name:
rel-(1R,4aS,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,4aS,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Constituent 9
Chemical structure
Reference substance name:
rel-(3aR,6R,8aR)-7,7-dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one
CAS Number:
64550-95-4
Molecular formula:
C14H20O
IUPAC Name:
rel-(3aR,6R,8aR)-7,7-dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one
Constituent 10
Chemical structure
Reference substance name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
CAS Number:
31983-21-8
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
Constituent 11
Chemical structure
Reference substance name:
6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
CAS Number:
473-14-3
Molecular formula:
C15H24
IUPAC Name:
6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 12
Chemical structure
Reference substance name:
rel-(4R,4aR)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(4R,4aR)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene
Constituent 13
Chemical structure
Reference substance name:
rel-(1R,8aR)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
CAS Number:
317819-82-2
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,8aR)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
Constituent 14
Reference substance name:
Likely sesquiterpine, MW 202
Molecular formula:
C15H22
IUPAC Name:
Likely sesquiterpine, MW 202
Constituent 15
Reference substance name:
Likely acetylated sesquiterpenes and acetylated sesquiterpene alcohols
IUPAC Name:
Likely acetylated sesquiterpenes and acetylated sesquiterpene alcohols
Constituent 16
Reference substance name:
Likely oxygenated sesquiterpenes
IUPAC Name:
Likely oxygenated sesquiterpenes
Constituent 17
Reference substance name:
Unknown constituent, MW 260
IUPAC Name:
Unknown constituent, MW 260
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Constituent 2
Chemical structure
Reference substance name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Constituent 3
Chemical structure
Reference substance name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 4
Chemical structure
Reference substance name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
CAS Number:
22196-46-9
Molecular formula:
C15H22O
IUPAC Name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
Constituent 5
Chemical structure
Reference substance name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
CAS Number:
16981-90-1
Molecular formula:
C15H22O
IUPAC Name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Constituent 6
Chemical structure
Reference substance name:
rel-(1R,8aS)-1,8a-dimethyl-7-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(1R,8aS)-1,8a-dimethyl-7-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 7
Chemical structure
Reference substance name:
2-methoxy-4-prop-1-enylphenyl acetate
EC Number:
202-236-1
EC Name:
2-methoxy-4-prop-1-enylphenyl acetate
CAS Number:
93-29-8
Molecular formula:
C12H14O3
IUPAC Name:
2-methoxy-4-(prop-1-en-1-yl)phenyl acetate
Constituent 8
Chemical structure
Reference substance name:
rel-(1R,4aS,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,4aS,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Constituent 9
Chemical structure
Reference substance name:
rel-(3aR,6R,8aR)-7,7-dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one
CAS Number:
64550-95-4
Molecular formula:
C14H20O
IUPAC Name:
rel-(3aR,6R,8aR)-7,7-dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one
Constituent 10
Chemical structure
Reference substance name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
CAS Number:
31983-21-8
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
Constituent 11
Chemical structure
Reference substance name:
6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
CAS Number:
473-14-3
Molecular formula:
C15H24
IUPAC Name:
6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 12
Chemical structure
Reference substance name:
rel-(4R,4aR)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(4R,4aR)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene
Constituent 13
Chemical structure
Reference substance name:
rel-(1R,8aR)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
CAS Number:
317819-82-2
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,8aR)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
Constituent 14
Chemical structure
Reference substance name:
(1S,4aS)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenol
CAS Number:
116538-31-9
Molecular formula:
C15H26O
IUPAC Name:
(1S,4aS)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenol
Constituent 15
Chemical structure
Reference substance name:
[4R-(4α,4aα,6β)]-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one
EC Number:
225-124-4
EC Name:
[4R-(4α,4aα,6β)]-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one
CAS Number:
4674-50-4
Molecular formula:
C15H22O
IUPAC Name:
6-isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Constituent 16
Chemical structure
Reference substance name:
(2S)-2-[(4aR,8aS)-4a-methyl-8-methylene-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl]propyl acetate
CAS Number:
77429-54-0
Molecular formula:
C17H26O2
IUPAC Name:
(2S)-2-[(4aR,8aS)-4a-methyl-8-methylene-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl]propyl acetate
Constituent 17
Chemical structure
Reference substance name:
2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethylidene)-2-naphthyl acetate
EC Number:
254-657-5
EC Name:
2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethylidene)-2-naphthyl acetate
CAS Number:
39850-93-6
Molecular formula:
C17H26O2
IUPAC Name:
(4R,4aS)-6-isopropylidene-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl acetate
Constituent 18
Chemical structure
Reference substance name:
(1R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
CAS Number:
5951-61-1
Molecular formula:
C15H24
IUPAC Name:
(1R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
Constituent 19
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,5,6-hexahydronaphthalene
CAS Number:
16729-00-3
Molecular formula:
C15H24
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,5,6-hexahydronaphthalene
Constituent 20
Chemical structure
Reference substance name:
2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-yl acetate
CAS Number:
20489-46-7
Molecular formula:
C17H28O2
IUPAC Name:
2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-yl acetate
Constituent 21
Chemical structure
Reference substance name:
(1S,3aR,7S,7aS)-4-methyl-8-methylidene-7-(propan-2-yl)octahydro-1H-1,4-methanoindene
CAS Number:
22338-87-0
Molecular formula:
C15H24
IUPAC Name:
(1S,3aR,7S,7aS)-4-methyl-8-methylidene-7-(propan-2-yl)octahydro-1H-1,4-methanoindene
Constituent 22
Chemical structure
Reference substance name:
(1R,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
CAS Number:
36437-95-3
Molecular formula:
C15H24
IUPAC Name:
(1R,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 23
Chemical structure
Reference substance name:
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-yl acetate
CAS Number:
60031-93-8
Molecular formula:
C17H28O2
IUPAC Name:
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-yl acetate
Constituent 24
Chemical structure
Reference substance name:
2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yl acetate
CAS Number:
67996-61-6
Molecular formula:
C17H28O2
IUPAC Name:
2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yl acetate
Constituent 25
Chemical structure
Reference substance name:
1,5-dimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CAS Number:
71472-32-7
Molecular formula:
C15H22
IUPAC Name:
1,5-dimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
Constituent 26
Chemical structure
Reference substance name:
2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-yl acetate
CAS Number:
74803-82-0
Molecular formula:
C17H26O2
IUPAC Name:
2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-yl acetate
Constituent 27
Chemical structure
Reference substance name:
2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CAS Number:
76739-27-0
Molecular formula:
C15H22
IUPAC Name:
2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
Constituent 28
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
CAS Number:
77129-50-1
Molecular formula:
C15H20
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
Constituent 29
Chemical structure
Reference substance name:
1,1,3a,7-tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
CAS Number:
97408-24-7
Molecular formula:
C15H24
IUPAC Name:
1,1,3a,7-tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
Constituent 30
Chemical structure
Reference substance name:
[(3S,3aR,6R,8aS)-8,8-dimethyl-7-methylideneoctahydro-1H-3a,6-methanoazulen-3-yl]methyl acetate
CAS Number:
352457-48-8
Molecular formula:
C17H26O2
IUPAC Name:
[(3S,3aR,6R,8aS)-8,8-dimethyl-7-methylideneoctahydro-1H-3a,6-methanoazulen-3-yl]methyl acetate
Constituent 31
Chemical structure
Reference substance name:
1,8a-dimethyl-7-(propan-2-ylidene)octahydronaphthalen-4a(2H)-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
1,8a-dimethyl-7-(propan-2-ylidene)octahydronaphthalen-4a(2H)-yl acetate
Constituent 32
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl acetate
Constituent 33
Chemical structure
Reference substance name:
2-(4a,8-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)propan-2-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
2-(4a,8-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)propan-2-yl acetate
Constituent 34
Chemical structure
Reference substance name:
(2S,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2S,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Constituent 35
Chemical structure
Reference substance name:
(2R,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2R,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Constituent 36
Chemical structure
Reference substance name:
(2E)-2-(6,10-dimethylspiro[4.5]dec-6-en-2-ylidene)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2E)-2-(6,10-dimethylspiro[4.5]dec-6-en-2-ylidene)propyl acetate
Constituent 37
Chemical structure
Reference substance name:
(E)-2-methyl-3-((1S,3aS,7aR)-3a-methyl-7-methyleneoctahydro-1H-inden-1-yl)acrylaldehyde
CAS Number:
224794-18-7
Molecular formula:
C15H22O
IUPAC Name:
(E)-2-methyl-3-((1S,3aS,7aR)-3a-methyl-7-methyleneoctahydro-1H-inden-1-yl)acrylaldehyde
Constituent 38
Chemical structure
Reference substance name:
(3S,3aS,6S)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl acetate
CAS Number:
124601-88-3
Molecular formula:
C16H24O2
IUPAC Name:
(3S,3aS,6S)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl acetate
Constituent 39
Chemical structure
Reference substance name:
1-((2aS,3R)-2a,3-dimethyl-2a,3,4,5,7,7a-hexahydronaphtho[2,3-b]oxiren-1a(2H)-yl)ethan-1-one
CAS Number:
352457-29-5
Molecular formula:
C14H20O2
IUPAC Name:
1-((2aS,3R)-2a,3-dimethyl-2a,3,4,5,7,7a-hexahydronaphtho[2,3-b]oxiren-1a(2H)-yl)ethan-1-one
Constituent 40
Chemical structure
Reference substance name:
(3S,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
CAS Number:
28624-27-3
Molecular formula:
C15H22O
IUPAC Name:
(3S,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
Constituent 41
Chemical structure
Reference substance name:
(5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]deca-1,6-diene
CAS Number:
51196-11-3
Molecular formula:
C15H22
IUPAC Name:
(5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]deca-1,6-diene
Constituent 42
Chemical structure
Reference substance name:
(5R,10R)-10-methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene
CAS Number:
50763-70-7
Molecular formula:
C15H22
IUPAC Name:
(5R,10R)-10-methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene
Constituent 43
Chemical structure
Reference substance name:
(2R)-2-((5R)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2R)-2-((5R)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Constituent 44
Chemical structure
Reference substance name:
(2S)-2-((5S)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2S)-2-((5S)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Constituent 45
Chemical structure
Reference substance name:
(4aS,5R)-4a,5-dimethyl-3-(propan-2-ylidene)-1,2,3,4,4a,5,6,7-octahydronaphthalene
CAS Number:
51608-13-0
Molecular formula:
C15H24
IUPAC Name:
(4aS,5R)-4a,5-dimethyl-3-(propan-2-ylidene)-1,2,3,4,4a,5,6,7-octahydronaphthalene
Constituent 46
Chemical structure
Reference substance name:
((3S,3aS,6R)-7,7,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
CAS Number:
219133-58-1
Molecular formula:
C16H24O2
IUPAC Name:
((3S,3aS,6R)-7,7,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Constituent 47
Chemical structure
Reference substance name:
(3aS,6S)-3,6,7,7-tetramethyloctahydro-3a,6-ethanoinden-5-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
(3aS,6S)-3,6,7,7-tetramethyloctahydro-3a,6-ethanoinden-5-yl acetate
Constituent 48
Chemical structure
Reference substance name:
(4aS,8aR)-7-isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CAS Number:
27840-34-2
Molecular formula:
C15H24
IUPAC Name:
(4aS,8aR)-7-isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,5,8,8a-octahydronaphthalene
Constituent 49
Chemical structure
Reference substance name:
(3R,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
CAS Number:
28051-97-0
Molecular formula:
C15H22O
IUPAC Name:
(3R,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
Constituent 50
Chemical structure
Reference substance name:
2-((4aS,8R,8aR)-4a,8-Dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)propan-2-ol
CAS Number:
194607-96-0
Molecular formula:
C15 H26 O
IUPAC Name:
2-((4aS,8R,8aR)-4a,8-Dimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)propan-2-ol
Constituent 51
Reference substance name:
Unknown impurities
Molecular formula:
not applicable
IUPAC Name:
Unknown impurities
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Constituent 2
Chemical structure
Reference substance name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Constituent 3
Chemical structure
Reference substance name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 4
Chemical structure
Reference substance name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
CAS Number:
22196-46-9
Molecular formula:
C15H22O
IUPAC Name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
Constituent 5
Chemical structure
Reference substance name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
CAS Number:
16981-90-1
Molecular formula:
C15H22O
IUPAC Name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Constituent 6
Chemical structure
Reference substance name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
CAS Number:
31983-21-8
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
Constituent 7
Chemical structure
Reference substance name:
2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-yl acetate
CAS Number:
20489-46-7
Molecular formula:
C17H28O2
IUPAC Name:
2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-yl acetate
Constituent 8
Chemical structure
Reference substance name:
(1S,3aR,7S,7aS)-4-methyl-8-methylidene-7-(propan-2-yl)octahydro-1H-1,4-methanoindene
CAS Number:
22338-87-0
Molecular formula:
C15H24
IUPAC Name:
(1S,3aR,7S,7aS)-4-methyl-8-methylidene-7-(propan-2-yl)octahydro-1H-1,4-methanoindene
Constituent 9
Chemical structure
Reference substance name:
(1R,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
CAS Number:
36437-95-3
Molecular formula:
C15H24
IUPAC Name:
(1R,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 10
Chemical structure
Reference substance name:
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-yl acetate
CAS Number:
60031-93-8
Molecular formula:
C17H28O2
IUPAC Name:
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-yl acetate
Constituent 11
Chemical structure
Reference substance name:
2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yl acetate
CAS Number:
67996-61-6
Molecular formula:
C17H28O2
IUPAC Name:
2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yl acetate
Constituent 12
Chemical structure
Reference substance name:
1,5-dimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CAS Number:
71472-32-7
Molecular formula:
C15H22
IUPAC Name:
1,5-dimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
Constituent 13
Chemical structure
Reference substance name:
2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-yl acetate
CAS Number:
74803-82-0
Molecular formula:
C17H26O2
IUPAC Name:
2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-yl acetate
Constituent 14
Chemical structure
Reference substance name:
2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CAS Number:
76739-27-0
Molecular formula:
C15H22
IUPAC Name:
2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
Constituent 15
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
CAS Number:
77129-50-1
Molecular formula:
C15H20
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
Constituent 16
Chemical structure
Reference substance name:
1,1,3a,7-tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
CAS Number:
97408-24-7
Molecular formula:
C15H24
IUPAC Name:
1,1,3a,7-tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
Constituent 17
Chemical structure
Reference substance name:
[(3S,3aR,6R,8aS)-8,8-dimethyl-7-methylideneoctahydro-1H-3a,6-methanoazulen-3-yl]methyl acetate
CAS Number:
352457-48-8
Molecular formula:
C17H26O2
IUPAC Name:
[(3S,3aR,6R,8aS)-8,8-dimethyl-7-methylideneoctahydro-1H-3a,6-methanoazulen-3-yl]methyl acetate
Constituent 18
Chemical structure
Reference substance name:
1,8a-dimethyl-7-(propan-2-ylidene)octahydronaphthalen-4a(2H)-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
1,8a-dimethyl-7-(propan-2-ylidene)octahydronaphthalen-4a(2H)-yl acetate
Constituent 19
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl acetate
Constituent 20
Chemical structure
Reference substance name:
2-(4a,8-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)propan-2-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
2-(4a,8-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)propan-2-yl acetate
Constituent 21
Chemical structure
Reference substance name:
(2S,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2S,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Constituent 22
Chemical structure
Reference substance name:
(2R,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2R,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Constituent 23
Chemical structure
Reference substance name:
(2E)-2-(6,10-dimethylspiro[4.5]dec-6-en-2-ylidene)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2E)-2-(6,10-dimethylspiro[4.5]dec-6-en-2-ylidene)propyl acetate
Constituent 24
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,5,6-hexahydronaphthalene
CAS Number:
16729-00-3
Molecular formula:
C15H24
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,5,6-hexahydronaphthalene
Constituent 25
Chemical structure
Reference substance name:
(1R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
CAS Number:
5951-61-1
Molecular formula:
C15H24
IUPAC Name:
(1R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
Constituent 26
Reference substance name:
Other - unknown constituents
Molecular formula:
NA
IUPAC Name:
Other - unknown constituents
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Reference substance name:
Vetiverol, acetate
EC Number:
263-597-9
EC Name:
Vetiverol, acetate
CAS Number:
62563-80-8
IUPAC Name:
vetiverol, acetate
Constituent 2
Reference substance name:
unknown impurities
IUPAC Name:
unknown impurities
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Constituent 2
Chemical structure
Reference substance name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Constituent 3
Chemical structure
Reference substance name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 4
Chemical structure
Reference substance name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
CAS Number:
22196-46-9
Molecular formula:
C15H22O
IUPAC Name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
Constituent 5
Chemical structure
Reference substance name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
CAS Number:
16981-90-1
Molecular formula:
C15H22O
IUPAC Name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Constituent 6
Chemical structure
Reference substance name:
rel-(1R,8aS)-1,8a-dimethyl-7-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(1R,8aS)-1,8a-dimethyl-7-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 7
Chemical structure
Reference substance name:
2-methoxy-4-prop-1-enylphenyl acetate
EC Number:
202-236-1
EC Name:
2-methoxy-4-prop-1-enylphenyl acetate
CAS Number:
93-29-8
Molecular formula:
C12H14O3
IUPAC Name:
2-methoxy-4-(prop-1-en-1-yl)phenyl acetate
Constituent 8
Chemical structure
Reference substance name:
rel-(1R,4aS,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,4aS,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Constituent 9
Chemical structure
Reference substance name:
rel-(3aR,6R,8aR)-7,7-dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one
CAS Number:
64550-95-4
Molecular formula:
C14H20O
IUPAC Name:
rel-(3aR,6R,8aR)-7,7-dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one
Constituent 10
Chemical structure
Reference substance name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
CAS Number:
31983-21-8
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
Constituent 11
Chemical structure
Reference substance name:
6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
CAS Number:
473-14-3
Molecular formula:
C15H24
IUPAC Name:
6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 12
Chemical structure
Reference substance name:
rel-(4R,4aR)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(4R,4aR)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene
Constituent 13
Chemical structure
Reference substance name:
rel-(1R,8aR)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
CAS Number:
317819-82-2
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,8aR)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
Constituent 14
Chemical structure
Reference substance name:
(1S,4aS)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenol
CAS Number:
116538-31-9
Molecular formula:
C15H26O
IUPAC Name:
(1S,4aS)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenol
Constituent 15
Chemical structure
Reference substance name:
[4R-(4α,4aα,6β)]-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one
EC Number:
225-124-4
EC Name:
[4R-(4α,4aα,6β)]-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one
CAS Number:
4674-50-4
Molecular formula:
C15H22O
IUPAC Name:
6-isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Constituent 16
Chemical structure
Reference substance name:
(2S)-2-[(4aR,8aS)-4a-methyl-8-methylene-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl]propyl acetate
CAS Number:
77429-54-0
Molecular formula:
C17H26O2
IUPAC Name:
(2S)-2-[(4aR,8aS)-4a-methyl-8-methylene-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl]propyl acetate
Constituent 17
Chemical structure
Reference substance name:
2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethylidene)-2-naphthyl acetate
EC Number:
254-657-5
EC Name:
2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethylidene)-2-naphthyl acetate
CAS Number:
39850-93-6
Molecular formula:
C17H26O2
IUPAC Name:
(4R,4aS)-6-isopropylidene-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl acetate
Constituent 18
Chemical structure
Reference substance name:
(1R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
CAS Number:
5951-61-1
Molecular formula:
C15H24
IUPAC Name:
(1R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
Constituent 19
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,5,6-hexahydronaphthalene
CAS Number:
16729-00-3
Molecular formula:
C15H24
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,5,6-hexahydronaphthalene
Constituent 20
Chemical structure
Reference substance name:
2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-yl acetate
CAS Number:
20489-46-7
Molecular formula:
C17H28O2
IUPAC Name:
2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-yl acetate
Constituent 21
Chemical structure
Reference substance name:
(1S,3aR,7S,7aS)-4-methyl-8-methylidene-7-(propan-2-yl)octahydro-1H-1,4-methanoindene
CAS Number:
22338-87-0
Molecular formula:
C15H24
IUPAC Name:
(1S,3aR,7S,7aS)-4-methyl-8-methylidene-7-(propan-2-yl)octahydro-1H-1,4-methanoindene
Constituent 22
Chemical structure
Reference substance name:
(1R,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
CAS Number:
36437-95-3
Molecular formula:
C15H24
IUPAC Name:
(1R,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 23
Chemical structure
Reference substance name:
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-yl acetate
CAS Number:
60031-93-8
Molecular formula:
C17H28O2
IUPAC Name:
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-yl acetate
Constituent 24
Chemical structure
Reference substance name:
2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yl acetate
CAS Number:
67996-61-6
Molecular formula:
C17H28O2
IUPAC Name:
2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yl acetate
Constituent 25
Chemical structure
Reference substance name:
1,5-dimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CAS Number:
71472-32-7
Molecular formula:
C15H22
IUPAC Name:
1,5-dimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
Constituent 26
Chemical structure
Reference substance name:
2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-yl acetate
CAS Number:
74803-82-0
Molecular formula:
C17H26O2
IUPAC Name:
2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-yl acetate
Constituent 27
Chemical structure
Reference substance name:
2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CAS Number:
76739-27-0
Molecular formula:
C15H22
IUPAC Name:
2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
Constituent 28
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
CAS Number:
77129-50-1
Molecular formula:
C15H20
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
Constituent 29
Chemical structure
Reference substance name:
1,1,3a,7-tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
CAS Number:
97408-24-7
Molecular formula:
C15H24
IUPAC Name:
1,1,3a,7-tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
Constituent 30
Chemical structure
Reference substance name:
[(3S,3aR,6R,8aS)-8,8-dimethyl-7-methylideneoctahydro-1H-3a,6-methanoazulen-3-yl]methyl acetate
CAS Number:
352457-48-8
Molecular formula:
C17H26O2
IUPAC Name:
[(3S,3aR,6R,8aS)-8,8-dimethyl-7-methylideneoctahydro-1H-3a,6-methanoazulen-3-yl]methyl acetate
Constituent 31
Chemical structure
Reference substance name:
1,8a-dimethyl-7-(propan-2-ylidene)octahydronaphthalen-4a(2H)-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
1,8a-dimethyl-7-(propan-2-ylidene)octahydronaphthalen-4a(2H)-yl acetate
Constituent 32
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl acetate
Constituent 33
Chemical structure
Reference substance name:
2-(4a,8-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)propan-2-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
2-(4a,8-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)propan-2-yl acetate
Constituent 34
Chemical structure
Reference substance name:
(2S,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2S,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Constituent 35
Chemical structure
Reference substance name:
(2R,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2R,3R)-3,7,7-trimethyl-8-methylideneoctahydro-1H-3a,6-methanoazulen-2-yl acetate
Constituent 36
Chemical structure
Reference substance name:
(2E)-2-(6,10-dimethylspiro[4.5]dec-6-en-2-ylidene)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2E)-2-(6,10-dimethylspiro[4.5]dec-6-en-2-ylidene)propyl acetate
Constituent 37
Chemical structure
Reference substance name:
(E)-2-methyl-3-((1S,3aS,7aR)-3a-methyl-7-methyleneoctahydro-1H-inden-1-yl)acrylaldehyde
CAS Number:
224794-18-7
Molecular formula:
C15H22O
IUPAC Name:
(E)-2-methyl-3-((1S,3aS,7aR)-3a-methyl-7-methyleneoctahydro-1H-inden-1-yl)acrylaldehyde
Constituent 38
Chemical structure
Reference substance name:
(3S,3aS,6S)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl acetate
CAS Number:
124601-88-3
Molecular formula:
C16H24O2
IUPAC Name:
(3S,3aS,6S)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl acetate
Constituent 39
Chemical structure
Reference substance name:
1-((2aS,3R)-2a,3-dimethyl-2a,3,4,5,7,7a-hexahydronaphtho[2,3-b]oxiren-1a(2H)-yl)ethan-1-one
CAS Number:
352457-29-5
Molecular formula:
C14H20O2
IUPAC Name:
1-((2aS,3R)-2a,3-dimethyl-2a,3,4,5,7,7a-hexahydronaphtho[2,3-b]oxiren-1a(2H)-yl)ethan-1-one
Constituent 40
Chemical structure
Reference substance name:
(3S,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
CAS Number:
28624-27-3
Molecular formula:
C15H22O
IUPAC Name:
(3S,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
Constituent 41
Chemical structure
Reference substance name:
(5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]deca-1,6-diene
CAS Number:
51196-11-3
Molecular formula:
C15H22
IUPAC Name:
(5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]deca-1,6-diene
Constituent 42
Chemical structure
Reference substance name:
(5R,10R)-10-methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene
CAS Number:
50763-70-7
Molecular formula:
C15H22
IUPAC Name:
(5R,10R)-10-methyl-6-methylene-2-(propan-2-ylidene)spiro[4.5]dec-7-ene
Constituent 43
Chemical structure
Reference substance name:
(2R)-2-((5R)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2R)-2-((5R)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Constituent 44
Chemical structure
Reference substance name:
(2S)-2-((5S)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
(2S)-2-((5S)-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)inden-5-yl)propyl acetate
Constituent 45
Chemical structure
Reference substance name:
(4aS,5R)-4a,5-dimethyl-3-(propan-2-ylidene)-1,2,3,4,4a,5,6,7-octahydronaphthalene
CAS Number:
51608-13-0
Molecular formula:
C15H24
IUPAC Name:
(4aS,5R)-4a,5-dimethyl-3-(propan-2-ylidene)-1,2,3,4,4a,5,6,7-octahydronaphthalene
Constituent 46
Chemical structure
Reference substance name:
((3S,3aS,6R)-7,7,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
CAS Number:
219133-58-1
Molecular formula:
C16H24O2
IUPAC Name:
((3S,3aS,6R)-7,7,8-trimethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Constituent 47
Chemical structure
Reference substance name:
(3aS,6S)-3,6,7,7-tetramethyloctahydro-3a,6-ethanoinden-5-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
(3aS,6S)-3,6,7,7-tetramethyloctahydro-3a,6-ethanoinden-5-yl acetate
Constituent 48
Chemical structure
Reference substance name:
(4aS,8aR)-7-isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CAS Number:
27840-34-2
Molecular formula:
C15H24
IUPAC Name:
(4aS,8aR)-7-isopropyl-4a-methyl-1-methylene-1,2,3,4,4a,5,8,8a-octahydronaphthalene
Constituent 49
Chemical structure
Reference substance name:
(3R,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
CAS Number:
28051-97-0
Molecular formula:
C15H22O
IUPAC Name:
(3R,3aR,6R,8aS)-3,7,7-trimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-2(3H)-one
Constituent 50
Reference substance name:
Likely sesquiterpine, MW 202
Molecular formula:
C15H22
IUPAC Name:
Likely sesquiterpine, MW 202
Constituent 51
Reference substance name:
Likely acetylated sesquiterpenes and acetylated sesquiterpene alcohols
IUPAC Name:
Likely acetylated sesquiterpenes and acetylated sesquiterpene alcohols
Constituent 52
Reference substance name:
Likely oxygenated sesquiterpenes
IUPAC Name:
Likely oxygenated sesquiterpenes
Constituent 53
Reference substance name:
Unknown constituent, MW 260
IUPAC Name:
Unknown constituent, MW 260
Constituent 54
Reference substance name:
Unknown impurities
Molecular formula:
not applicable
IUPAC Name:
Unknown impurities
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
rel-((3aR,6R)-7,7-dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulen-3-yl)methyl acetate
Constituent 2
Chemical structure
Reference substance name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Molecular formula:
C17H26O2
IUPAC Name:
2-(8,8a-dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propyl acetate
Constituent 3
Chemical structure
Reference substance name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(8R,8aS)-8,8a-dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 4
Chemical structure
Reference substance name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
CAS Number:
22196-46-9
Molecular formula:
C15H22O
IUPAC Name:
rel-(5R,10R)-6,10-dimethyl-2-(propan-2-ylidene)spiro[4.5]dec-6-en-8-one
Constituent 5
Chemical structure
Reference substance name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
CAS Number:
16981-90-1
Molecular formula:
C15H22O
IUPAC Name:
rel-(4R,4aS)-4,4a-dimethyl-6-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Constituent 6
Chemical structure
Reference substance name:
rel-(1R,8aS)-1,8a-dimethyl-7-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(1R,8aS)-1,8a-dimethyl-7-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 7
Chemical structure
Reference substance name:
2-methoxy-4-prop-1-enylphenyl acetate
EC Number:
202-236-1
EC Name:
2-methoxy-4-prop-1-enylphenyl acetate
CAS Number:
93-29-8
Molecular formula:
C12H14O3
IUPAC Name:
2-methoxy-4-(prop-1-en-1-yl)phenyl acetate
Constituent 8
Chemical structure
Reference substance name:
rel-(1R,4aS,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,4aS,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Constituent 9
Chemical structure
Reference substance name:
rel-(3aR,6R,8aR)-7,7-dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one
CAS Number:
64550-95-4
Molecular formula:
C14H20O
IUPAC Name:
rel-(3aR,6R,8aR)-7,7-dimethyl-8-methylenehexahydro-1H-3a,6-methanoazulen-3(2H)-one
Constituent 10
Chemical structure
Reference substance name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
CAS Number:
31983-21-8
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
Constituent 11
Chemical structure
Reference substance name:
6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
CAS Number:
473-14-3
Molecular formula:
C15H24
IUPAC Name:
6-isopropyl-4,8a-dimethyl-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 12
Chemical structure
Reference substance name:
rel-(4R,4aR)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene
Molecular formula:
C15H22
IUPAC Name:
rel-(4R,4aR)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,7-hexahydronaphthalene
Constituent 13
Chemical structure
Reference substance name:
rel-(1R,8aR)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
CAS Number:
317819-82-2
Molecular formula:
C15H24
IUPAC Name:
rel-(1R,8aR)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene
Constituent 14
Chemical structure
Reference substance name:
(1S,4aS)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenol
CAS Number:
116538-31-9
Molecular formula:
C15H26O
IUPAC Name:
(1S,4aS)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenol
Constituent 15
Chemical structure
Reference substance name:
[4R-(4α,4aα,6β)]-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one
EC Number:
225-124-4
EC Name:
[4R-(4α,4aα,6β)]-4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylvinyl)naphthalen-2(3H)-one
CAS Number:
4674-50-4
Molecular formula:
C15H22O
IUPAC Name:
6-isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
Constituent 16
Chemical structure
Reference substance name:
(2S)-2-[(4aR,8aS)-4a-methyl-8-methylene-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl]propyl acetate
CAS Number:
77429-54-0
Molecular formula:
C17H26O2
IUPAC Name:
(2S)-2-[(4aR,8aS)-4a-methyl-8-methylene-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl]propyl acetate
Constituent 17
Chemical structure
Reference substance name:
2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethylidene)-2-naphthyl acetate
EC Number:
254-657-5
EC Name:
2,3,4,4a,5,6,7,8-octahydro-4,4a-dimethyl-6-(1-methylethylidene)-2-naphthyl acetate
CAS Number:
39850-93-6
Molecular formula:
C17H26O2
IUPAC Name:
(4R,4aS)-6-isopropylidene-4,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl acetate
Constituent 18
Chemical structure
Reference substance name:
(1R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
CAS Number:
5951-61-1
Molecular formula:
C15H24
IUPAC Name:
(1R,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene
Constituent 19
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,5,6-hexahydronaphthalene
CAS Number:
16729-00-3
Molecular formula:
C15H24
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,5,6-hexahydronaphthalene
Constituent 20
Chemical structure
Reference substance name:
2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-yl acetate
CAS Number:
20489-46-7
Molecular formula:
C17H28O2
IUPAC Name:
2-[(2R,8R,8aS)-8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl]propan-2-yl acetate
Constituent 21
Chemical structure
Reference substance name:
(1S,3aR,7S,7aS)-4-methyl-8-methylidene-7-(propan-2-yl)octahydro-1H-1,4-methanoindene
CAS Number:
22338-87-0
Molecular formula:
C15H24
IUPAC Name:
(1S,3aR,7S,7aS)-4-methyl-8-methylidene-7-(propan-2-yl)octahydro-1H-1,4-methanoindene
Constituent 22
Chemical structure
Reference substance name:
(1R,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
CAS Number:
36437-95-3
Molecular formula:
C15H24
IUPAC Name:
(1R,8aR)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
Constituent 23
Chemical structure
Reference substance name:
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-yl acetate
CAS Number:
60031-93-8
Molecular formula:
C17H28O2
IUPAC Name:
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]propan-2-yl acetate
Constituent 24
Chemical structure
Reference substance name:
2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yl acetate
CAS Number:
67996-61-6
Molecular formula:
C17H28O2
IUPAC Name:
2-[(2R,4aR)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-yl acetate
Constituent 25
Chemical structure
Reference substance name:
1,5-dimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
CAS Number:
71472-32-7
Molecular formula:
C15H22
IUPAC Name:
1,5-dimethyl-8-(propan-2-yl)-1,2,3,4-tetrahydronaphthalene
Constituent 26
Chemical structure
Reference substance name:
2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-yl acetate
CAS Number:
74803-82-0
Molecular formula:
C17H26O2
IUPAC Name:
2-(8,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl)prop-2-en-1-yl acetate
Constituent 27
Chemical structure
Reference substance name:
2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CAS Number:
76739-27-0
Molecular formula:
C15H22
IUPAC Name:
2,5,9,9-tetramethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
Constituent 28
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
CAS Number:
77129-50-1
Molecular formula:
C15H20
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene
Constituent 29
Chemical structure
Reference substance name:
1,1,3a,7-tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
CAS Number:
97408-24-7
Molecular formula:
C15H24
IUPAC Name:
1,1,3a,7-tetramethyl-1a,2,3,3a,4,5,6,7b-octahydro-1H-cyclopropa[a]naphthalene
Constituent 30
Chemical structure
Reference substance name:
[(3S,3aR,6R,8aS)-8,8-dimethyl-7-methylideneoctahydro-1H-3a,6-methanoazulen-3-yl]methyl acetate
CAS Number:
352457-48-8
Molecular formula:
C17H26O2
IUPAC Name:
[(3S,3aR,6R,8aS)-8,8-dimethyl-7-methylideneoctahydro-1H-3a,6-methanoazulen-3-yl]methyl acetate
Constituent 31
Chemical structure
Reference substance name:
1,8a-dimethyl-7-(propan-2-ylidene)octahydronaphthalen-4a(2H)-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
1,8a-dimethyl-7-(propan-2-ylidene)octahydronaphthalen-4a(2H)-yl acetate
Constituent 32
Chemical structure
Reference substance name:
4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
4,7-dimethyl-1-(propan-2-yl)-1,3,4,5,8,8a-hexahydronaphthalen-4a(2H)-yl acetate
Constituent 33
Chemical structure
Reference substance name:
2-(4a,8-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)propan-2-yl acetate
Molecular formula:
C17H28O2
IUPAC Name:
2-(4a,8-dimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl)propan-2-yl acetate
Constituent