geranyl octanoate

flavor and fragrance agents

2D:
3D:
CAS Number:	51532-26-4
ECHA EC Number:	257-256-3
FDA UNII:	Search
Category:	flavor and fragrance agents
IUPAC Name:	geranyl octanoate
InChI :	InChI=1/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+
Std.InChI:	InChI=1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+
InChIKey :	YYBMOGCOPQVSLQ-SAPNQHFABW
Std.InChIKey:	YYBMOGCOPQVSLQ-SAPNQHFASA-N
SMILES :	CCCCCCCC(=O)OC/C=C(\C)/CCC=C(C)C
Molar Refractivity :	87.01 ± 0.3 cm3 (est)
Parachor :	739.7 ± 4.0 cm3 (est)
Index of Refraction :	1.462 ± 0.02 (est)
Surface Tension :	30.0 ± 3.0 dyne/cm (est)
Density :	0.887 ± 0.06 g/cm3 (est)
Polarizability :	34.49 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
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Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	97.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.88200 to 0.89200 @ 25.00 °C.
Pounds per Gallon - (est).:	7.339 to 7.422
Refractive Index:	1.45800 to 1.46800 @ 20.00 °C.
Boiling Point:	305.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.000016 mmHg @ 25.00 °C. (est)
Flash Point:	> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w):	7.292 (est)
Soluble in:
	alcohol
	water, 0.007307 mg/L @ 25 °C (est)
Insoluble in:
	water
Similar Items:note
allyl octanoate
amyl octanoate
isoamyl octanoate
benzyl octanoate
butyl octanoate
isobutyl octanoate
citronellyl octanoate
ortho-cresyl octanoate
para-cresyl octanoate
decyl octanoate
ethyl 4-methyl octanoate
ethyl octanoate
furfuryl octanoate
heptyl octanoate
(E)-2-hexen-1-yl octanoate
(Z)-3-hexen-1-yl octanoate
hexyl octanoate
linalyl octanoate
2-methyl butyl octanoate
methyl octanoate
nonyl octanoate
octyl octanoate
phenethyl octanoate
propyl octanoate
isopropyl octanoate
sulfuryl octanoate

Organoleptic Properties:

herbal rose fruity cognac

Cosmetic Information:

None found

Suppliers:

BOC Sciences

For experimental / research use only.

Geranyl caprylate 95%

Fleurchem

geranyl caprylate natural

(> 97%)

Odor: SWEET,HERBAL,ROSE,FRUITY,APRICOT

Safety Information:

European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for geranyl octanoate usage levels up to:
	4.0000 % in the fragrance concentrate.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):51532-26-4

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6365696

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:2

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

Chemidplus:0051532264

References:

	[(2E)-3,7-dimethylocta-2,6-dienyl] octanoate
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	51532-26-4
Pubchem (cid):	6365696
Pubchem (sid):	135062012
Pherobase:	View

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components :

For Odor

No odor group found for these

ethyl (R)-2-methyl butyrate
FL/FR

alliaceous

dibutyl sulfide
FL/FR

anisic

amyl furoate
FL/FR

aromatic

damascone carboxylate
FR

caramellic

diethyl malate
FL/FR

citrus

lemon scented

tea tree oil
FR

ethereal

decyl propionate
FL/FR

ethyl 4-pentenoate
FL/FR

ethyl formate
FL/FR

fermented

iso

amyl alcohol
FL/FR

iso

butyl decanoate
FL/FR

hexanal diethyl acetal
FL/FR

methyl-1-pentanol
FL/FR

floral

alpha-

amyl cinnamaldehyde
FL/FR

benzyl acetone
FL/FR

benzyl isobutyrate
FL/FR

butyl tiglate
FR

cassis buteneone
FR

cassis cyclohexene
FR

cassis oxime 10%
FR

citronellal diisotridecyl acetal
FR

citronellyl acetate
FL/FR

citronellyl anthranilate
FL/FR

citronellyl hexanoate
FL/FR

citronellyl isovalerate
FL/FR

citronellyl propionate
FL/FR

(E)-

citronellyl tiglate
FL/FR

citronellyl valerate
FL/FR

citrus propanol
FR

cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
FR

beta-

damascenone
FL/FR

delta-

damascone
FL/FR

dihydroisojasmonate methyl ester
FR

dimethyl benzyl carbinyl acetate
FL/FR

dimethyl benzyl carbinyl butyrate
FL/FR

ethyl linalyl acetate
FR

ethyl ortho-anisate
FL/FR

ethyl safranate
FR

eucalyptus macarthurii oil
FR

geraniol
FL/FR

geranium oil egypt fractions
FR

geranium oil morocco
FL/FR

geranyl formate
FL/FR

geranyl isobutyrate
FL/FR

geranyl phenyl acetate
FL/FR

geranyl propionate
FL/FR

geranyl tiglate
FL/FR

geranyl valerate
FL/FR

jasmin absolute egypt (from concrete)
FL/FR

menthadienyl formate
FR

methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR

neryl formate
FL/FR

nonan-3-yl acetate
FL/FR

nonanone
FL/FR

phenethyl isobutyrate
FL/FR

phenethyl isovalerate
FL/FR

phenethyl propionate
FL/FR

phenethyl valerate
FL/FR

rhodinyl butyrate
FL/FR

rose butanoate
FL/FR

rose undecene
FR

styralyl propionate
FL/FR

fresh

10-

undecen-1-yl acetate
FL/FR

fruity

allyl isononylate
FR

amyl decanoate
FL/FR

amyl lactate
FL/FR

para-

anisyl propionate
FL/FR

ethyl butyrate
FL/FR

ethyl heptanoate
FL/FR

(E)-

ethyl tiglate
FL/FR

(E,Z)-6-

ethyl-5,7-dimethyl-2,5-octadien-4-one
FR

geranyl butyrate
FL/FR

heptanone
FL/FR

para-

menth-1-ene-9-ol
FL/FR

methyl butyl isovalerate
FL/FR

octyl formate
FL/FR

(E,E)-

pomarose
FR

thesaron (Takasago)
FR

green

butyl heptanoate
FL/FR

iso

butyl heptanoate
FL/FR

iso

butyl methyl ketone
FL/FR

(E)-2-

hexen-1-yl valerate
FL/FR

hexyl phenyl acetate
FL/FR

hexyl tiglate
FL/FR

herbal

iso

amyl heptanoate
FL/FR

anthemis nobilis flower oil roman
FL/FR

buchu mercaptan acetate
FL/FR

butyl levulinate
FL/FR

chamomile propionate
FR

chamomile valerate
FR

cuminyl acetate
FL/FR

2,10-

epoxypinane
FR

geranic oxide
FL/FR

geranium concrete
FL/FR

geranium cyclohexane
FR

linalyl formate
FL/FR

linalyl octanoate
FL/FR

1-para-

menthen-9-yl acetate
FL/FR

methyl hexyl ether
FL/FR

(1S,5R)-

myrtenyl acetate
FL/FR

octanon-1-ol
FL/FR

rue oil
FL/FR

tagete oil south africa
FL/FR

tricyclodecenyl propionate
FR

viridiflorol
FL/FR

mentholic

laevo-

menthyl acetate
FL/FR

orris

orris capronate
FL/FR

soapy

ethyl undecanoate
FL/FR

spicy

gingergrass oil
FR

waxy

dihydrocitronellyl acetate
FL/FR

ethyl nonanoate
FL/FR

winey

butyl angelate
FL/FR

woody

santalyl butyrate
FL/FR

For Flavor

No flavor group found for these

amyl decanoate
FL/FR

amyl furoate
FL/FR

amyl lactate
FL/FR

para-

anisyl propionate
FL/FR

benzyl methyl tiglate
FL

butyl angelate
FL/FR

iso

butyl decanoate
FL/FR

iso

butyl heptanoate
FL/FR

citronellyl isovalerate
FL/FR

citronellyl valerate
FL/FR

cuminyl acetate
FL/FR

decyl propionate
FL/FR

diethyl malate
FL/FR

dihydrocitronellyl acetate
FL/FR

ethyl (R)-2-methyl butyrate
FL/FR

ethyl 4-pentenoate
FL/FR

ethyl ortho-anisate
FL/FR

geranyl valerate
FL/FR

hexanal diethyl acetal
FL/FR

methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR

nonan-3-yl acetate
FL/FR

octanon-1-ol
FL/FR

phenethyl valerate
FL/FR

santalyl butyrate
FL/FR

viridiflorol
FL/FR

acidic

(E)-2-

hexenoic acid
FL

camphoreous

geranic oxide
FL/FR

citrus

styralyl propionate
FL/FR

ethereal

ethyl formate
FL/FR

methyl hexyl ether
FL/FR

floral

citronellyl acetate
FL/FR

citronellyl hexanoate
FL/FR

citronellyl propionate
FL/FR

dimethyl benzyl carbinyl acetate
FL/FR

dimethyl benzyl carbinyl butyrate
FL/FR

geraniol
FL/FR

geranium oil morocco
FL/FR

geranyl isobutyrate
FL/FR

geranyl phenyl acetate
FL/FR

geranyl tiglate
FL/FR

jasmin absolute egypt (from concrete)
FL/FR

phenethyl propionate
FL/FR

rhodinyl butyrate
FL/FR

fruity

benzyl acetone
FL/FR

benzyl isobutyrate
FL/FR

buchu mercaptan acetate
FL/FR

butyl heptanoate
FL/FR

citronellyl anthranilate
FL/FR

ethyl butyrate
FL/FR

ethyl heptanoate
FL/FR

(E)-

ethyl tiglate
FL/FR

geranyl butyrate
FL/FR

heptanone
FL/FR

hexyl phenyl acetate
FL/FR

linalyl octanoate
FL/FR

1-para-

menthen-9-yl acetate
FL/FR

methyl butyl isovalerate
FL/FR

neryl formate
FL/FR

phenethyl isovalerate
FL/FR

rose butanoate
FL/FR

tagete oil south africa
FL/FR

fusel

iso

amyl alcohol
FL/FR

greasy

10-

undecen-1-yl acetate
FL/FR

green

iso

butyl methyl ketone
FL/FR

(E)-

citronellyl tiglate
FL/FR

dibutyl sulfide
FL/FR

geranyl formate
FL/FR

(E)-2-

hexen-1-yl valerate
FL/FR

hexyl tiglate
FL/FR

methyl-2-pentenal
FL

nonanone
FL/FR

octyl formate
FL/FR

herbal

iso

amyl heptanoate
FL/FR

anthemis nobilis flower oil roman
FL/FR

butyl levulinate
FL/FR

geranium concrete
FL/FR

linalyl formate
FL/FR

para-

menth-1-ene-9-ol
FL/FR

rue oil
FL/FR

honey

phenethyl isobutyrate
FL/FR

minty

laevo-

menthyl acetate
FL/FR

orris

orris capronate
FL/FR

tropical

alpha-

amyl cinnamaldehyde
FL/FR

waxy

ethyl nonanoate
FL/FR

ethyl undecanoate
FL/FR

geranyl propionate
FL/FR

whiskey

methyl-1-pentanol
FL/FR

woody

beta-

damascenone
FL/FR

delta-

damascone
FL/FR

(1S,5R)-

myrtenyl acetate
FL/FR

Potential Uses:

	enhancer
FL	fruit tropical fruit
FR	geranium
FR	herbal
FR	rose

Occurrence (nature, food, other):

geranium stem oil india @ 0.54%
Data GC Search Trop Picture

Synonyms:

(E)-3,7-	dimethyl-2,6-octadien-1-yl octanoate
(2E)-3,7-	dimethylocta-2,6-dien-1-yl octanoate
[(2E)-3,7-	dimethylocta-2,6-dienyl] octanoate
	geranyl caprylate
(E)-	geranyl caprylate
	geranyl caprylate natural
(E)-	geranyl octanoate
(E)-	neryl caprylate
(E)-	neryl octanoate
	octanoic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
(E)-	octanoic acid 3,7-dimethyl-2,6-octadienyl ester
	octanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
	octanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
	octanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-

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CONTENTS

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