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linalyl octanoate

Chemical Structure

General Material Information

Preferred name linalyl octanoate
Trivial Name Linalyl octanoate
Short Description octanoic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
Formula C18 H32 O2
CAS Number 10024-64-3
FEMA Number 2644
Flavis Number 9.116
ECHA Number 233-026-8
FDA UNII 9004S7D8YV
Nikkaji Number J241.224A
COE Number 397
xLogP3-AA 6.30 (est)
NMR Predictor External link
JECFA Food Flavoring 365 linalyl octanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 10024-64-3 ; LINALYL OCTANOATE
Synonyms
  • 1,5-dimethyl-1-ethenylhex-4-enyl octanoate
  • 1,5-dimethyl-1-vinyl-4-hexenyl octanoate
  • 3,7-dimethyl-1,6-octadien-3-yl octanoate
  • 3,7-dimethylocta-1,6-dien-3-yl octanoate
  • 1-ethenyl-1,5-dimethyl-4-hexenyl octanoate
  • linalool octanoate
  • linalyl caprylate
  • linalyl octoate
  • linalyl octylate
  • octanoic acid 1-ethenyl-1,5-dimethyl-4-hexenyl ester
  • octanoic acid 1,5-dimethyl-1-vinyl-4-hexenyl ester
  • octanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
  • octanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
  • octanoic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
  • 3,7-dimethylocta-1,6-dien-3-yl octanoate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, octanoate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB30430
FooDB:FDB002294
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 280.4514465332
Vapor Pressure 0.000125 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 6.964 est
Solubility
alcohol Yes
paraffin oil Yes
water, 0.0087 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
dry, fruity, herbal, sweet, green, natural
Odor strength medium
Substantivity 72 hour(s) at 100.00 %
Luebke, William tgsc, (1995) At 100.00 %. dry fruity herbal sweet green natural
Flavor Type: Fruity
sweet, berry, tropical, green, herbal
Luebke, William tgsc, (1995) Sweet berry tropical green herbal

Occurrences

Potential Uses

Applications
Odor purposes Apricot, Green, Herbal, Lavandin, Lavender, Plum, Raspberry, Strawberry, Woody, Ylang ylang
Other purposes Dry, Natural

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:
oral-mouse LD50 [sex: M,F] 48849 mg/kg
(Hoffman-LaRoche, Inc., 1967a)

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 linalyl octanoate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: 0.6000015.00000
beverages(nonalcoholic): -1.30000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.500003.00000
fruit ices: 0.500003.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.50000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 18 (FGE.18): Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical group 6
View page or View pdf

Flavouring Group Evaluation 18, Revision 1 (FGE. 18 Rev1)[1] : Aliphatic, alicyclic and aromatic saturated and unsaturated tertiary alcohols, aromatic tertiary alcohols and their esters from chemical groups 6 and 8
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):10024-64-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61435
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,7-dimethylocta-1,6-dien-3-yl octanoate
Chemidplus:0010024643