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amyl octanoate

Chemical Structure

General Material Information

Preferred name amyl octanoate
Trivial Name Pentyl octanoate
Short Description amyl caprylate
Formula C13 H26 O2
CAS Number 638-25-5
FEMA Number 2079
Flavis Number 9.112
ECHA Number 211-328-0
FDA UNII 1KWP15429R
Nikkaji Number J95.693G
MDL MFCD00048919
COE Number 393
xLogP3-AA 4.90 (est)
NMR Predictor External link
JECFA Food Flavoring 174 N-amyl octanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 638-25-5 ; AMYL OCTANOATE
Synonyms
  • amyl caprylate
  • amyl caprylate FCC
  • amyl N-octanoate
  • N- amyl octanoate
  • amyl octoate
  • amyl octylate
  • amyl-caprylate (n-amyl-octanoate) FCC
  • N- amyl(pentyl) octanoate
  • N- caprylic acid n-amyl ester
  • octanoic acid pentyl ester
  • octanoic acid, pentyl ester
  • pentyl octanoate
  • pentyl octylate
  • n-Amyl caprylate
  • NSC 23940

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

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NCBI Start search

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
KEGG (GenomeNet):C04780
HMDB (The Human Metabolome Database):HMDB36217
FooDB:FDB015075
Export Tariff Code:2915.90.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 214.34861755371
Specific gravity @ 20 °C
Pounds per Gallon 7.181 to 7.206
Refractive Index 1.427 to 1.429 @ 20 °C
Melting Point -34 to -35°C @ 760 mm Hg
Boiling Point 260 to 261°C @ 760 mm Hg
Boiling Point 124 to 216°C @ 12 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.014 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 5.28
Solubility
alcohol Yes
fixed oils Yes
water, 1.132 mg/L @ 25 °C (est) Yes
water No
glycerin No

Organoleptic Properties

Odor Type: Earthy
orris, sweet, winey, cognac, elderflower, fatty
General comment At 100.00 %. orris sweet winey cognac elderflower fatty

Occurrences

Potential Uses

Applications
Odor purposes Chocolate, Orris, Wine
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
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 amyl octanoate usage levels up to:
6.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.40 (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: -3.50000
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.50000
fruit ices: -3.50000
gelatins / puddings: -2.10000
granulated sugar: --
gravies: --
hard candy: -6.00000
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):638-25-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61185
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
pentyl octanoate
Chemidplus:0000638255