Registration Dossier

Identification

Display Name:
Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
EC Number:
946-433-7
Molecular formula:
Not applicable for a natural complex substance (UVCB)
IUPAC Name:
Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation

Type of substance

Composition:
UVCB
Origin:
other: NCS (Natural Complex Substance)

Total tonnage band

Total range:
10 - 100 tonnes per annum

REACH

Registered as:
FULL
Submitted:
Joint Submission

Publication dates

First published:
13-Dec-2017
Last modified:
09-Jan-2020

Chemical safety assessment

Performed for this substance:
YES

Compositions open all close all

Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 4
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 5
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 6
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 7
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 8
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 9
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 10
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 11
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 12
Chemical structure
Reference substance name:
p-menth-1-en-8-yl acetate
EC Number:
201-265-7
EC Name:
p-menth-1-en-8-yl acetate
CAS Number:
80-26-2
Molecular formula:
C12H20O2
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Constituent 13
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 14
Chemical structure
Reference substance name:
Pin-2(3)-ene
EC Number:
201-291-9
EC Name:
Pin-2(3)-ene
CAS Number:
80-56-8
Molecular formula:
C10H16
IUPAC Name:
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Constituent 15
Chemical structure
Reference substance name:
Thuj-4(10)-ene
EC Number:
222-212-4
EC Name:
Thuj-4(10)-ene
CAS Number:
3387-41-5
Molecular formula:
C10H16
IUPAC Name:
Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
Constituent 16
Chemical structure
Reference substance name:
p-mentha-1,4(8)-diene
EC Number:
209-578-0
EC Name:
p-mentha-1,4(8)-diene
CAS Number:
586-62-9
Molecular formula:
C10H16
IUPAC Name:
4-isopropylidene-1-methylcyclohexene
Constituent 17
Reference substance name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
IUPAC Name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 4
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 5
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 6
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 7
Chemical structure
Reference substance name:
(E)-3,7-dimethylocta-1,3,6-triene
EC Number:
223-241-5
EC Name:
(E)-3,7-dimethylocta-1,3,6-triene
CAS Number:
3779-61-1
Molecular formula:
C10H16
IUPAC Name:
(3E)-3,7-dimethylocta-1,3,6-triene
Constituent 8
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 9
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 10
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 11
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 12
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 13
Chemical structure
Reference substance name:
Citral
EC Number:
226-394-6
EC Name:
Citral
CAS Number:
5392-40-5
Molecular formula:
C10H16O
IUPAC Name:
3,7-dimethylocta-2,6-dienal
Constituent 14
Chemical structure
Reference substance name:
p-menth-1-en-8-yl acetate
EC Number:
201-265-7
EC Name:
p-menth-1-en-8-yl acetate
CAS Number:
80-26-2
Molecular formula:
C12H20O2
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Constituent 15
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 16
Chemical structure
Reference substance name:
Pin-2(3)-ene
EC Number:
201-291-9
EC Name:
Pin-2(3)-ene
CAS Number:
80-56-8
Molecular formula:
C10H16
IUPAC Name:
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Constituent 17
Chemical structure
Reference substance name:
Thuj-4(10)-ene
EC Number:
222-212-4
EC Name:
Thuj-4(10)-ene
CAS Number:
3387-41-5
Molecular formula:
C10H16
IUPAC Name:
Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
Constituent 18
Chemical structure
Reference substance name:
p-mentha-1,4(8)-diene
EC Number:
209-578-0
EC Name:
p-mentha-1,4(8)-diene
CAS Number:
586-62-9
Molecular formula:
C10H16
IUPAC Name:
4-isopropylidene-1-methylcyclohexene
Constituent 19
Reference substance name:
Other minor and unknown constituents in Petitgrain Oil
Molecular formula:
Not applicable for other minor and unknown constituents in Petitgrain Oil
IUPAC Name:
Other minor and unknown constituents in Petitgrain Oil
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 4
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 5
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 6
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 7
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 8
Chemical structure
Reference substance name:
Citral
EC Number:
226-394-6
EC Name:
Citral
CAS Number:
5392-40-5
Molecular formula:
C10H16O
IUPAC Name:
3,7-dimethylocta-2,6-dienal
Constituent 9
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 10
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 11
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 12
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 13
Chemical structure
Reference substance name:
p-menth-1-en-8-yl acetate
EC Number:
201-265-7
EC Name:
p-menth-1-en-8-yl acetate
CAS Number:
80-26-2
Molecular formula:
C12H20O2
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Constituent 14
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 15
Chemical structure
Reference substance name:
Pin-2(3)-ene
EC Number:
201-291-9
EC Name:
Pin-2(3)-ene
CAS Number:
80-56-8
Molecular formula:
C10H16
IUPAC Name:
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Constituent 16
Chemical structure
Reference substance name:
Thuj-4(10)-ene
EC Number:
222-212-4
EC Name:
Thuj-4(10)-ene
CAS Number:
3387-41-5
Molecular formula:
C10H16
IUPAC Name:
Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
Constituent 17
Chemical structure
Reference substance name:
p-mentha-1,4(8)-diene
EC Number:
209-578-0
EC Name:
p-mentha-1,4(8)-diene
CAS Number:
586-62-9
Molecular formula:
C10H16
IUPAC Name:
4-isopropylidene-1-methylcyclohexene
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Reference substance name:
Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
EC Number:
946-433-7
Molecular formula:
Not applicable for a natural complex substance (UVCB)
IUPAC Name:
Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 4
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 5
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 6
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 7
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 8
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 9
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 10
Chemical structure
Reference substance name:
p-mentha-1,4(8)-diene
EC Number:
209-578-0
EC Name:
p-mentha-1,4(8)-diene
CAS Number:
586-62-9
Molecular formula:
C10H16
IUPAC Name:
4-isopropylidene-1-methylcyclohexene
Constituent 11
Chemical structure
Reference substance name:
Pin-2(3)-ene
EC Number:
201-291-9
EC Name:
Pin-2(3)-ene
CAS Number:
80-56-8
Molecular formula:
C10H16
IUPAC Name:
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Constituent 12
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Type:
boundary composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 4
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 5
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 6
Chemical structure
Reference substance name:
(E)-3,7-dimethylocta-1,3,6-triene
EC Number:
223-241-5
EC Name:
(E)-3,7-dimethylocta-1,3,6-triene
CAS Number:
3779-61-1
Molecular formula:
C10H16
IUPAC Name:
(3E)-3,7-dimethylocta-1,3,6-triene
Constituent 7
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 8
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 9
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 10
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 11
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 12
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 13
Chemical structure
Reference substance name:
Citral
EC Number:
226-394-6
EC Name:
Citral
CAS Number:
5392-40-5
Molecular formula:
C10H16O
IUPAC Name:
3,7-dimethylocta-2,6-dienal
Constituent 14
Chemical structure
Reference substance name:
p-menth-1-en-8-yl acetate
EC Number:
201-265-7
EC Name:
p-menth-1-en-8-yl acetate
CAS Number:
80-26-2
Molecular formula:
C12H20O2
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Constituent 15
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 16
Chemical structure
Reference substance name:
Pin-2(3)-ene
EC Number:
201-291-9
EC Name:
Pin-2(3)-ene
CAS Number:
80-56-8
Molecular formula:
C10H16
IUPAC Name:
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Constituent 17
Chemical structure
Reference substance name:
Thuj-4(10)-ene
EC Number:
222-212-4
EC Name:
Thuj-4(10)-ene
CAS Number:
3387-41-5
Molecular formula:
C10H16
IUPAC Name:
Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
Constituent 18
Chemical structure
Reference substance name:
p-mentha-1,4(8)-diene
EC Number:
209-578-0
EC Name:
p-mentha-1,4(8)-diene
CAS Number:
586-62-9
Molecular formula:
C10H16
IUPAC Name:
4-isopropylidene-1-methylcyclohexene
Constituent 19
Reference substance name:
Other minor and unknown constituents in Petitgrain Oil
Molecular formula:
Not applicable for other minor and unknown constituents in Petitgrain Oil
IUPAC Name:
Other minor and unknown constituents in Petitgrain Oil
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 4
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 5
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 6
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 7
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 8
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 9
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 10
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 11
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 12
Chemical structure
Reference substance name:
p-menth-1-en-8-yl acetate
EC Number:
201-265-7
EC Name:
p-menth-1-en-8-yl acetate
CAS Number:
80-26-2
Molecular formula:
C12H20O2
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Constituent 13
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 14
Chemical structure
Reference substance name:
Thuj-4(10)-ene
EC Number:
222-212-4
EC Name:
Thuj-4(10)-ene
CAS Number:
3387-41-5
Molecular formula:
C10H16
IUPAC Name:
Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
Constituent 15
Chemical structure
Reference substance name:
Citral
EC Number:
226-394-6
EC Name:
Citral
CAS Number:
5392-40-5
Molecular formula:
C10H16O
IUPAC Name:
3,7-dimethylocta-2,6-dienal
Constituent 16
Chemical structure
Reference substance name:
Pin-2(3)-ene
EC Number:
201-291-9
EC Name:
Pin-2(3)-ene
CAS Number:
80-56-8
Molecular formula:
C10H16
IUPAC Name:
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Constituent 17
Chemical structure
Reference substance name:
p-mentha-1,4(8)-diene
EC Number:
209-578-0
EC Name:
p-mentha-1,4(8)-diene
CAS Number:
586-62-9
Molecular formula:
C10H16
IUPAC Name:
4-isopropylidene-1-methylcyclohexene
Constituent 18
Reference substance name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
IUPAC Name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 4
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 5
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 6
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 7
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 8
Chemical structure
Reference substance name:
Citral
EC Number:
226-394-6
EC Name:
Citral
CAS Number:
5392-40-5
Molecular formula:
C10H16O
IUPAC Name:
3,7-dimethylocta-2,6-dienal
Constituent 9
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 10
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 11
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 12
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 13
Chemical structure
Reference substance name:
p-menth-1-en-8-yl acetate
EC Number:
201-265-7
EC Name:
p-menth-1-en-8-yl acetate
CAS Number:
80-26-2
Molecular formula:
C12H20O2
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Constituent 14
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 15
Chemical structure
Reference substance name:
Pin-2(3)-ene
EC Number:
201-291-9
EC Name:
Pin-2(3)-ene
CAS Number:
80-56-8
Molecular formula:
C10H16
IUPAC Name:
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Constituent 16
Chemical structure
Reference substance name:
Thuj-4(10)-ene
EC Number:
222-212-4
EC Name:
Thuj-4(10)-ene
CAS Number:
3387-41-5
Molecular formula:
C10H16
IUPAC Name:
Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
Constituent 17
Chemical structure
Reference substance name:
p-mentha-1,4(8)-diene
EC Number:
209-578-0
EC Name:
p-mentha-1,4(8)-diene
CAS Number:
586-62-9
Molecular formula:
C10H16
IUPAC Name:
4-isopropylidene-1-methylcyclohexene
Constituent 18
Chemical structure
Reference substance name:
(E)-3,7-dimethylocta-1,3,6-triene
EC Number:
223-241-5
EC Name:
(E)-3,7-dimethylocta-1,3,6-triene
CAS Number:
3779-61-1
Molecular formula:
C10H16
IUPAC Name:
(3E)-3,7-dimethylocta-1,3,6-triene
Constituent 19
Reference substance name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
IUPAC Name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 4
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 5
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 6
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 7
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 8
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 9
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 10
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 11
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 12
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 13
Chemical structure
Reference substance name:
Thuj-4(10)-ene
EC Number:
222-212-4
EC Name:
Thuj-4(10)-ene
CAS Number:
3387-41-5
Molecular formula:
C10H16
IUPAC Name:
Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
Constituent 14
Chemical structure
Reference substance name:
p-mentha-1,4(8)-diene
EC Number:
209-578-0
EC Name:
p-mentha-1,4(8)-diene
CAS Number:
586-62-9
Molecular formula:
C10H16
IUPAC Name:
4-isopropylidene-1-methylcyclohexene
Constituent 15
Reference substance name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
IUPAC Name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 4
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 5
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 6
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 7
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 8
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 9
Chemical structure
Reference substance name:
p-menth-1-en-8-yl acetate
EC Number:
201-265-7
EC Name:
p-menth-1-en-8-yl acetate
CAS Number:
80-26-2
Molecular formula:
C12H20O2
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Constituent 10
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 11
Reference substance name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
IUPAC Name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
Type:
boundary composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 4
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 5
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 6
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 7
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 8
Chemical structure
Reference substance name:
Citral
EC Number:
226-394-6
EC Name:
Citral
CAS Number:
5392-40-5
Molecular formula:
C10H16O
IUPAC Name:
3,7-dimethylocta-2,6-dienal
Constituent 9
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 10
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 11
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 12
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 13
Chemical structure
Reference substance name:
p-menth-1-en-8-yl acetate
EC Number:
201-265-7
EC Name:
p-menth-1-en-8-yl acetate
CAS Number:
80-26-2
Molecular formula:
C12H20O2
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Constituent 14
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 15
Chemical structure
Reference substance name:
Pin-2(3)-ene
EC Number:
201-291-9
EC Name:
Pin-2(3)-ene
CAS Number:
80-56-8
Molecular formula:
C10H16
IUPAC Name:
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Constituent 16
Chemical structure
Reference substance name:
Thuj-4(10)-ene
EC Number:
222-212-4
EC Name:
Thuj-4(10)-ene
CAS Number:
3387-41-5
Molecular formula:
C10H16
IUPAC Name:
Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
Constituent 17
Chemical structure
Reference substance name:
p-mentha-1,4(8)-diene
EC Number:
209-578-0
EC Name:
p-mentha-1,4(8)-diene
CAS Number:
586-62-9
Molecular formula:
C10H16
IUPAC Name:
4-isopropylidene-1-methylcyclohexene
Constituent 18
Chemical structure
Reference substance name:
p-cymene
EC Number:
202-796-7
EC Name:
p-cymene
CAS Number:
99-87-6
Molecular formula:
C10H14
IUPAC Name:
1-methyl-4-propan-2-ylbenzene
Constituent 19
Reference substance name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
IUPAC Name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 4
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 5
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 6
Chemical structure
Reference substance name:
(E)-3,7-dimethylocta-1,3,6-triene
EC Number:
223-241-5
EC Name:
(E)-3,7-dimethylocta-1,3,6-triene
CAS Number:
3779-61-1
Molecular formula:
C10H16
IUPAC Name:
(3E)-3,7-dimethylocta-1,3,6-triene
Constituent 7
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 8
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 9
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 10
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 11
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 12
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 13
Chemical structure
Reference substance name:
Citral
EC Number:
226-394-6
EC Name:
Citral
CAS Number:
5392-40-5
Molecular formula:
C10H16O
IUPAC Name:
3,7-dimethylocta-2,6-dienal
Constituent 14
Chemical structure
Reference substance name:
p-menth-1-en-8-yl acetate
EC Number:
201-265-7
EC Name:
p-menth-1-en-8-yl acetate
CAS Number:
80-26-2
Molecular formula:
C12H20O2
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Constituent 15
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 16
Chemical structure
Reference substance name:
Pin-2(3)-ene
EC Number:
201-291-9
EC Name:
Pin-2(3)-ene
CAS Number:
80-56-8
Molecular formula:
C10H16
IUPAC Name:
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Constituent 17
Chemical structure
Reference substance name:
Thuj-4(10)-ene
EC Number:
222-212-4
EC Name:
Thuj-4(10)-ene
CAS Number:
3387-41-5
Molecular formula:
C10H16
IUPAC Name:
Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
Constituent 18
Chemical structure
Reference substance name:
p-mentha-1,4(8)-diene
EC Number:
209-578-0
EC Name:
p-mentha-1,4(8)-diene
CAS Number:
586-62-9
Molecular formula:
C10H16
IUPAC Name:
4-isopropylidene-1-methylcyclohexene
Constituent 19
Reference substance name:
Other minor and unknown constituents in Petitgrain Oil
Molecular formula:
Not applicable for other minor and unknown constituents in Petitgrain Oil
IUPAC Name:
Other minor and unknown constituents in Petitgrain Oil
Type:
boundary composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 4
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 5
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 6
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 7
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 8
Chemical structure
Reference substance name:
Citral
EC Number:
226-394-6
EC Name:
Citral
CAS Number:
5392-40-5
Molecular formula:
C10H16O
IUPAC Name:
3,7-dimethylocta-2,6-dienal
Constituent 9
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 10
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 11
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 12
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 13
Chemical structure
Reference substance name:
p-menth-1-en-8-yl acetate
EC Number:
201-265-7
EC Name:
p-menth-1-en-8-yl acetate
CAS Number:
80-26-2
Molecular formula:
C12H20O2
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Constituent 14
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 15
Chemical structure
Reference substance name:
Pin-2(3)-ene
EC Number:
201-291-9
EC Name:
Pin-2(3)-ene
CAS Number:
80-56-8
Molecular formula:
C10H16
IUPAC Name:
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene
Constituent 16
Chemical structure
Reference substance name:
Thuj-4(10)-ene
EC Number:
222-212-4
EC Name:
Thuj-4(10)-ene
CAS Number:
3387-41-5
Molecular formula:
C10H16
IUPAC Name:
Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)
Constituent 17
Chemical structure
Reference substance name:
p-mentha-1,4(8)-diene
EC Number:
209-578-0
EC Name:
p-mentha-1,4(8)-diene
CAS Number:
586-62-9
Molecular formula:
C10H16
IUPAC Name:
4-isopropylidene-1-methylcyclohexene
Constituent 18
Reference substance name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
IUPAC Name:
Unknown and other minor constituents of Essential oil of Petitgrain obtained from the leaves and twigs of Citrus aurantium (Rutaceae) by distillation
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
Linalyl acetate
EC Number:
204-116-4
EC Name:
Linalyl acetate
CAS Number:
115-95-7
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-1,6-dien-3-yl acetate
Constituent 2
Chemical structure
Reference substance name:
Linalool
EC Number:
201-134-4
EC Name:
Linalool
CAS Number:
78-70-6
Molecular formula:
C10H18O
IUPAC Name:
3,7-Dimethylocta-1,6-dien-3-ol
Constituent 3
Chemical structure
Reference substance name:
p-menth-1-en-8-ol
EC Number:
202-680-6
EC Name:
p-menth-1-en-8-ol
CAS Number:
98-55-5
Molecular formula:
C10H18O
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-ol
Constituent 4
Chemical structure
Reference substance name:
Geranyl acetate
EC Number:
203-341-5
EC Name:
Geranyl acetate
CAS Number:
105-87-3
Molecular formula:
C12H20O2
IUPAC Name:
3,7-dimethylocta-2,6-dien-1-yl acetate
Constituent 5
Chemical structure
Reference substance name:
Geraniol
EC Number:
203-377-1
EC Name:
Geraniol
CAS Number:
106-24-1
Molecular formula:
C10H18O
IUPAC Name:
(2E)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 6
Chemical structure
Reference substance name:
Neryl acetate
EC Number:
205-459-2
EC Name:
Neryl acetate
CAS Number:
141-12-8
Molecular formula:
C12H20O2
IUPAC Name:
[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
Constituent 7
Chemical structure
Reference substance name:
(E)-3,7-dimethylocta-1,3,6-triene
EC Number:
223-241-5
EC Name:
(E)-3,7-dimethylocta-1,3,6-triene
CAS Number:
3779-61-1
Molecular formula:
C10H16
IUPAC Name:
(3E)-3,7-dimethylocta-1,3,6-triene
Constituent 8
Chemical structure
Reference substance name:
7-methyl-3-methyleneocta-1,6-diene
EC Number:
204-622-5
EC Name:
7-methyl-3-methyleneocta-1,6-diene
CAS Number:
123-35-3
Molecular formula:
C10H16
IUPAC Name:
7-Methyl-3-methylene-1,6-octadiene
Constituent 9
Chemical structure
Reference substance name:
Nerol
EC Number:
203-378-7
EC Name:
Nerol
CAS Number:
106-25-2
Molecular formula:
C10H18O
IUPAC Name:
(2Z)-3,7-dimethylocta-2,6-dien-1-ol
Constituent 10
Chemical structure
Reference substance name:
(Z)-3,7-dimethylocta-1,3,6,-triene
EC Number:
222-081-3
EC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
CAS Number:
3338-55-4
Molecular formula:
C10H16
IUPAC Name:
(Z)-3,7-dimethylocta-1,3,6,-triene
Constituent 11
Chemical structure
Reference substance name:
Pin-2(10)-ene
EC Number:
204-872-5
EC Name:
Pin-2(10)-ene
CAS Number:
127-91-3
Molecular formula:
C10H16
IUPAC Name:
6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane
Constituent 12
Chemical structure
Reference substance name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
EC Number:
231-732-0
EC Name:
(±)-1-methyl-4-(1-methylvinyl)cyclohexene
CAS Number:
7705-14-8
Molecular formula:
C10H16
IUPAC Name:
1-methyl-4-(methylvinyl)cyclohex-1-ene
Constituent 13
Chemical structure
Reference substance name:
Citral
EC Number:
226-394-6
EC Name:
Citral
CAS Number:
5392-40-5
Molecular formula:
C10H16O
IUPAC Name:
3,7-dimethylocta-2,6-dienal
Constituent 14
Chemical structure
Reference substance name:
p-menth-1-en-8-yl acetate
EC Number:
201-265-7
EC Name:
p-menth-1-en-8-yl acetate
CAS Number:
80-26-2
Molecular formula:
C12H20O2
IUPAC Name:
2-(4-methyl-1-cyclohex-3-enyl)propan-2-yl acetate
Constituent 15
Chemical structure
Reference substance name:
Caryophyllene
EC Number:
201-746-1
EC Name:
Caryophyllene
CAS Number:
87-44-5
Molecular formula:
C15H24
IUPAC Name:
[1R-(1R*,4E,9S*)]-4,11,11-trimethyl-8-methylene-Bicyclo[7.2.0]undec-4-ene
Constituent 16