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heptyl octanoate

Chemical Structure

General Material Information

Preferred name heptyl octanoate
Trivial Name Heptyl octanoate
Short Description heptyl caprylate
Formula C15 H30 O2
CAS Number 4265-97-8
FEMA Number 2553
Flavis Number 9.118
ECHA Number 224-252-8
FDA UNII RV47OTT39J
Nikkaji Number J115.087A
COE Number 399
NMR Predictor External link
JECFA Food Flavoring 176 heptyl octanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 4265-97-8 ; HEPTYL OCTANOATE
Synonyms
  • heptyl caprylate
  • heptyl octylate
  • heptyl-caprylate (heptyl-octanoate)
  • octanoic acid heptyl ester
  • octanoic acid, heptyl ester
  • Caprylic acid, heptyl ester
  • NSC 23958

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):HMDB36218
FooDB:FDB015076
Export Tariff Code:2915.90.8000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 242.40249633789
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 130 °C TCC
logP (o/w) 6.39 est
Solubility
alcohol Yes
water, 0.1577 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Waxy
waxy, oily, green, tropical, fresh, fruity, fatty, musty
General comment At 100.00 %. waxy oily green tropical fresh
Mosciano, Gerard P&F 15, No. 6, 35, (1990) Waxy, fruity, fatty, green with a musty tropical nuance
Flavor Type: Waxy
waxy, fatty, tropical, fruity
Mosciano, Gerard P&F 15, No. 6, 35, (1990) At 50.00 ppm. Waxy, fatty with a tropical fruity nuance

Occurrences

Potential Uses

Applications
Odor purposes Apple, Coconut, Cream, Fruit, Green, Pear, Pineapple
Flavoring purposes Tallow
Other purposes Waxy

Safety Information

Safety information

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 heptyl octanoate usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.71 (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: --
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
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):4265-97-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61342
National Institute of Allergy and Infectious Diseases:Data
heptyl octanoate
Chemidplus:0004265978