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octyl octanoate

Chemical Structure

General Material Information

Preferred name octyl octanoate
Trivial Name Octyl caprylate
Short Description octanoic acid, octyl ester
Formula C16 H32 O2
CAS Number 2306-88-9
FEMA Number 2811
Flavis Number 9.114
ECHA Number 218-980-5
FDA UNII MM00XO86JQ
Nikkaji Number J115.088J
MDL MFCD00129710
COE Number 395
xLogP3-AA 6.50 (est)
NMR Predictor External link
JECFA Food Flavoring 177 octyl octanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2306-88-9 ; OCTYL OCTANOATE
Synonyms
  • octanoic acid octyl ester
  • octanoic acid, octyl ester
  • octyl caprylate
  • N- octyl caprylate
  • octyl octylate
  • Caprylic acid, octyl ester
  • n-Octyl caprylate
  • 1-Octyl octanoate
  • 1-Octanol octanoate
  • n-Octyl n-octanoate
  • Estol 1540EHC
  • NSC 23957
  • Octyl octanathioate
  • Cetiol 88
  • Caprylyl Caprylate

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):HMDB33166
FooDB:FDB011175
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 256.42944335938
Specific gravity @ 25 °C
Pounds per Gallon
Melting Point -18 to -17°C @ 760 mm Hg
Boiling Point 306 to 307°C @ 760 mm Hg
Boiling Point 192 to 193°C @ 30 mm Hg
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 139.44 °C TCC
logP (o/w) 6.899 est
Solubility
alcohol Yes
water, 0.06006 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Fruity
coconut, oily, fruity
General comment At 100.00 %. coconut oily fruity

Occurrences

Potential Uses

Applications
Odor purposes Cherry, Plum
Cosmetic purposes Skin conditioning - emollient

Safety Information

Safety information

Preferred SDS: View
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 octyl octanoate usage levels up to:
6.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.03 (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: 0.500002.00000
beverages(nonalcoholic): 0.500001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.500001.00000
fruit ices: 0.500001.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.500002.00000
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):

Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2306-88-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61294
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:nwg
octyl octanoate
Chemidplus:0002306889