Pelargonium graveolens, ext.

Substance identity

Identification

Display Name:

Pelargonium graveolens, ext.

EC Number:

290-140-0

EC Name:

Pelargonium graveolens, ext.

CAS Number:

90082-51-2

Molecular formula:

Not relevant, UVCB substance

IUPAC Name:

Essential oil of geranium obtained from the stems and leaves of Pelargonium graveolens by steam distillation

Type of Substance

Composition:

UVCB

Origin:

other: Natural Complex Substance (NCS)

Substance Identifiers

EC number

290-140-0

CAS number

8000-46-2

Trade name

GERANIUM CHINA ESSENTIAL OIL

GERANIUM CHINE HE

GERANIUM EGYPT ESSENTIAL OIL

GERANIUM EGYPTE HE

GERANIUM EO

GERANIUM EO CHINA

GERANIUM EO EGYPT

GERANIUM EO MADAGASCAR

GERANIUM ESSENTIAL OIL

GERANIUM MADAGASCAR HE

Geranium Oil

Geranium Oil Chinese

Geranium Oil Egyptian

HUILE ESSENTIELLE DE GERANIUM

Compositions

Boundary Composition(s)

Boundary composition Geranium oil

State Form:

liquid

Constituent 1

Reference substance name:

Citronellol

EC Number:

203-375-0

EC Name:

Citronellol

CAS Number:

106-22-9

Molecular formula:

C10H20O

IUPAC Name:

3,7-dimethyloct-6-en-1-ol

Constituent 2

Reference substance name:

Citronellyl formate

EC Number:

203-338-9

EC Name:

Citronellyl formate

CAS Number:

105-85-1

Molecular formula:

C11H20O2

IUPAC Name:

3,7-dimethyloct-6-enyl formate

Constituent 3

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

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 5

Reference substance name:

(1S,3aR,8aR)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene

CAS Number:

-

Molecular formula:

C15H24

IUPAC Name:

(1S,3aR,8aR)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene

Constituent 6

Reference substance name:

Isomenthone

EC Number:

207-727-4

EC Name:

Isomenthone

CAS Number:

491-07-6

Molecular formula:

C10H18O

IUPAC Name:

5-methyl-2-propan-2-ylcyclohexan-1-one

Constituent 7

Reference substance name:

(2S-cis)-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran

EC Number:

221-217-9

EC Name:

(2S-cis)-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran

CAS Number:

3033-23-6

Molecular formula:

C10H18O

IUPAC Name:

(2S,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane

Constituent 8

Reference substance name:

trans-menthone

EC Number:

201-941-1

EC Name:

trans-menthone

CAS Number:

89-80-5

Molecular formula:

C10H18O

IUPAC Name:

trans-2-isopropyl-5-methylcyclohexanone, rel-

Constituent 9

Reference substance name:

Geranyl formate

EC Number:

203-339-4

EC Name:

Geranyl formate

CAS Number:

105-86-2

Molecular formula:

C11H18O2

IUPAC Name:

3,7-dimethylocta-2,6-dien-1-yl formate

Constituent 10

Reference substance name:

Citronellyl butyrate

EC Number:

205-463-4

EC Name:

Citronellyl butyrate

CAS Number:

141-16-2

Molecular formula:

C14H26O2

IUPAC Name:

3,7-dimethyloct-6-en-1-yl butyrate

Constituent 11

Reference substance name:

Citronellyl propionate

EC Number:

205-461-3

EC Name:

Citronellyl propionate

CAS Number:

141-14-0

Molecular formula:

C13H24O2

IUPAC Name:

3,7-dimethyloct-6-en-1-yl propionate

Constituent 12

Reference substance name:

(E)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate

EC Number:

232-078-9

EC Name:

(E)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate

CAS Number:

7785-33-3

Molecular formula:

C15H24O2

IUPAC Name:

[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate

Constituent 13

Reference substance name:

(1Z,6Z)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene

CAS Number:

37839-63-7

Molecular formula:

C15H24

IUPAC Name:

(1Z,6Z)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene

Constituent 14

Reference substance name:

Unknown and minor constituents in Geranium oil

IUPAC Name:

Unknown and minor constituents in Geranium oil

Legal Entity Composition(s)

Legal entity composition Geranium oil

State Form:

liquid

Constituent 1

Reference substance name:

Citronellol

EC Number:

203-375-0

EC Name:

Citronellol

CAS Number:

106-22-9

Molecular formula:

C10H20O

IUPAC Name:

3,7-dimethyloct-6-en-1-ol

Constituent 2

Reference substance name:

Citronellyl formate

EC Number:

203-338-9

EC Name:

Citronellyl formate

CAS Number:

105-85-1

Molecular formula:

C11H20O2

IUPAC Name:

3,7-dimethyloct-6-enyl formate

Constituent 3

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

Reference substance name:

Isomenthone

EC Number:

207-727-4

EC Name:

Isomenthone

CAS Number:

491-07-6

Molecular formula:

C10H18O

IUPAC Name:

5-methyl-2-propan-2-ylcyclohexan-1-one

Constituent 5

Reference substance name:

1,4-dimethyl-7-(propan-2-yl)-1,2,3,3a,6,8a-hexahydroazulene

Molecular formula:

C15H24

IUPAC Name:

1,4-dimethyl-7-(propan-2-yl)-1,2,3,3a,6,8a-hexahydroazulene

Constituent 6

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 7

Reference substance name:

(2S-cis)-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran

EC Number:

221-217-9

EC Name:

(2S-cis)-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran

CAS Number:

3033-23-6

Molecular formula:

C10H18O

IUPAC Name:

(2S,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane

Constituent 8

Reference substance name:

Geranyl formate

EC Number:

203-339-4

EC Name:

Geranyl formate

CAS Number:

105-86-2

Molecular formula:

C11H18O2

IUPAC Name:

3,7-dimethylocta-2,6-dien-1-yl formate

Constituent 9

Reference substance name:

trans-menthone

EC Number:

201-941-1

EC Name:

trans-menthone

CAS Number:

89-80-5

Molecular formula:

C10H18O

IUPAC Name:

trans-2-isopropyl-5-methylcyclohexanone, rel-

Constituent 10

Reference substance name:

Citronellyl propionate

EC Number:

205-461-3

EC Name:

Citronellyl propionate

CAS Number:

141-14-0

Molecular formula:

C13H24O2

IUPAC Name:

3,7-dimethyloct-6-en-1-yl propionate

Constituent 11

Reference substance name:

Citronellyl butyrate

EC Number:

205-463-4

EC Name:

Citronellyl butyrate

CAS Number:

141-16-2

Molecular formula:

C14H26O2

IUPAC Name:

3,7-dimethyloct-6-en-1-yl butyrate

Constituent 12

Reference substance name:

(1Z,6E)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene

CAS Number:

37839-63-7

Molecular formula:

C15H24

IUPAC Name:

(1Z,6E)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene

Constituent 13

Reference substance name:

Unknown and minor constituents in Geranium oil

IUPAC Name:

Unknown and minor constituents in Geranium oil

Legal entity composition Geranium oil

State Form:

liquid

Constituent 1

Reference substance name:

4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

CAS Number:

483-76-1

Molecular formula:

C15H24

IUPAC Name:

4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene

Constituent 2

Reference substance name:

Citronellol

EC Number:

203-375-0

EC Name:

Citronellol

CAS Number:

106-22-9

Molecular formula:

C10H20O

IUPAC Name:

3,7-dimethyloct-6-en-1-ol

Constituent 3

Reference substance name:

Citronellyl formate

EC Number:

203-338-9

EC Name:

Citronellyl formate

CAS Number:

105-85-1

Molecular formula:

C11H20O2

IUPAC Name:

3,7-dimethyloct-6-enyl formate

Constituent 4

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

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 6

Reference substance name:

(1S,3aR,8aR)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene

CAS Number:

-

Molecular formula:

C15H24

IUPAC Name:

(1S,3aR,8aR)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene

Constituent 7

Reference substance name:

Isomenthone

EC Number:

207-727-4

EC Name:

Isomenthone

CAS Number:

491-07-6

Molecular formula:

C10H18O

IUPAC Name:

5-methyl-2-propan-2-ylcyclohexan-1-one

Constituent 8

Reference substance name:

(2S-cis)-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran

EC Number:

221-217-9

EC Name:

(2S-cis)-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran

CAS Number:

3033-23-6

Molecular formula:

C10H18O

IUPAC Name:

(2S,4R)-4-methyl-2-(2-methylprop-1-enyl)oxane

Constituent 9

Reference substance name:

trans-menthone

EC Number:

201-941-1

EC Name:

trans-menthone

CAS Number:

89-80-5

Molecular formula:

C10H18O

IUPAC Name:

trans-2-isopropyl-5-methylcyclohexanone, rel-

Constituent 10

Reference substance name:

Geranyl formate

EC Number:

203-339-4

EC Name:

Geranyl formate

CAS Number:

105-86-2

Molecular formula:

C11H18O2

IUPAC Name:

3,7-dimethylocta-2,6-dien-1-yl formate

Constituent 11

Reference substance name:

Citronellyl butyrate

EC Number:

205-463-4

EC Name:

Citronellyl butyrate

CAS Number:

141-16-2

Molecular formula:

C14H26O2

IUPAC Name:

3,7-dimethyloct-6-en-1-yl butyrate

Constituent 12

Reference substance name:

Citronellyl propionate

EC Number:

205-461-3

EC Name:

Citronellyl propionate

CAS Number:

141-14-0

Molecular formula:

C13H24O2

IUPAC Name:

3,7-dimethyloct-6-en-1-yl propionate

Constituent 13

Reference substance name:

(E)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate

EC Number:

232-078-9

EC Name:

(E)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate

CAS Number:

7785-33-3

Molecular formula:

C15H24O2

IUPAC Name:

[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate

Constituent 14

Reference substance name:

(1Z,6Z)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene

CAS Number:

37839-63-7

Molecular formula:

C15H24

IUPAC Name:

(1Z,6Z)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene

Constituent 15

Reference substance name:

Cyclobuta[1,2:3,4]dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1S,3aS,3bR,6aS,6bR)-

CAS Number:

5208-59-3

Molecular formula:

C15H24

IUPAC Name:

Cyclobuta[1,2:3,4]dicyclopentene, decahydro-3a-methyl-6-methylene-1-(1-methylethyl)-, (1S,3aS,3bR,6aS,6bR)-

Constituent 16

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 17

Reference substance name:

Geranyl butyrate

EC Number:

203-381-3

EC Name:

Geranyl butyrate

CAS Number:

106-29-6

Molecular formula:

C14H24O2

IUPAC Name:

[(2E)-3,7-dimethylocta-2,6-dienyl] butanoate

Constituent 18

Reference substance name:

2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol

CAS Number:

15051-81-7

Molecular formula:

C15H26O

IUPAC Name:

2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol

Constituent 19

Reference substance name:

Phenethyl 2-methylcrotonate

EC Number:

259-774-5

EC Name:

Phenethyl 2-methylcrotonate

CAS Number:

55719-85-2

Molecular formula:

C13H16O2

IUPAC Name:

2-phenylethyl (E)-2-methylbut-2-enoate

Constituent 20

Reference substance name:

Unknown and minor constituents in Geranium oil

IUPAC Name:

Unknown and minor constituents in Geranium oil

Pelargonium graveolens, ext.-Geranium oil Chinese

State Form:

liquid

Constituent 1

Reference substance name:

Citronellol

EC Number:

203-375-0

EC Name:

Citronellol

CAS Number:

106-22-9

Molecular formula:

C10H20O

IUPAC Name:

3,7-dimethyloct-6-en-1-ol

Constituent 2

Reference substance name:

Citronellyl formate

EC Number:

203-338-9

EC Name:

Citronellyl formate

CAS Number:

105-85-1

Molecular formula:

C11H20O2

IUPAC Name:

3,7-dimethyloct-6-enyl formate

Constituent 3

Reference substance name:

Nerol

EC Number:

203-378-7

EC Name:

Nerol

CAS Number:

106-25-2

Molecular formula:

C10H18O

IUPAC Name:

(2E)-3,7-dimethylocta-2,6-dien-1-ol

Constituent 4

Reference substance name:

(1R,3aS,8aS)-7-Isopropyl-1,4-dimethyl-1,2,3,3a,6,8a-hexahydroazulene

CAS Number:

36577-33-0

Molecular formula:

C15H24

IUPAC Name:

(1R,3aS,8aS)-7-Isopropyl-1,4-dimethyl-1,2,3,3a,6,8a-hexahydroazulene

Constituent 5

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

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 7

Reference substance name:

Tetrahydro-4-methyl-2-(2-methylprop-1-enyl)pyran

EC Number:

240-457-5

EC Name:

Tetrahydro-4-methyl-2-(2-methylprop-1-enyl)pyran

CAS Number:

16409-43-1

Molecular formula:

C10H18O

IUPAC Name:

2H-Pyran, Tetrahydro-4-Methyl-2-(2-Methyl-1-Propenyl)

Constituent 8

Reference substance name:

(1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane

CAS Number:

5208-59-3

Molecular formula:

C15H24

IUPAC Name:

(1S,2R,6S,7R,8S)-1-methyl-5-methylidene-8-propan-2-yltricyclo[5.3.0.02,6]decane

Constituent 9

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

Reference substance name:

(E)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate

EC Number:

232-078-9

EC Name:

(E)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate

CAS Number:

7785-33-3

Molecular formula:

C15H24O2

IUPAC Name:

[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate

Constituent 11

Reference substance name:

Geranyl formate

EC Number:

203-339-4

EC Name:

Geranyl formate

CAS Number:

105-86-2

Molecular formula:

C11H18O2

IUPAC Name:

3,7-dimethylocta-2,6-dien-1-yl formate

Constituent 12