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geranyl octanoate

Chemical Structure

General Material Information

Preferred name geranyl octanoate
Trivial Name Geranyl octanoate
Short Description octanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
Formula C18 H32 O2
CAS Number 51532-26-4
ECHA Number 257-256-3
FDA UNII Search
Nikkaji Number J261.751J
xLogP3-AA 6.50 (est)
NMR Predictor External link
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)-
  • [(2E)-3,7-dimethylocta-2,6-dienyl] octanoate
  • Geraniol caprylate

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PhysChem Properties

Material listed in food chemical codex No
Molecular weight 280.4514465332
Specific gravity @ 25 °C
Pounds per Gallon 7.339 to 7.422
Refractive Index 1.458 to 1.468 @ 20 °C
Vapor Pressure 1.6E-5 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 7.292 est
Solubility
alcohol Yes
water, 0.007307 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
herbal, rose, fruity, cognac
General comment At 100.00 %. herbal rose fruity cognac
Used for tropical and rose notes. An herbaceous rose fruity odor

Occurrences

Potential Uses

Applications
Odor purposes Geranium, Herbal, Rose
Flavoring purposes Fruit tropical fruit
Other purposes Enhancer

Safety Information

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