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ethyl heptanoate

Chemical Structure

General Material Information

Preferred name ethyl heptanoate
Trivial Name Ethyl heptanoate
Short Description ethyl capronate
Formula C9 H18 O2
CAS Number 106-30-9
FEMA Number 2437
Flavis Number 9.093
ECHA Number 203-382-9
FDA UNII 45R404Y5X8
Nikkaji Number J2.856H
Beilstein Number 1752311
MDL MFCD00009538
COE Number 365
xLogP3-AA 2.90 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 32 ethyl heptanoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 106-30-9 ; ETHYL HEPTANOATE
Synonyms
  • cognac oil synthetic
  • enanthic acid ethyl ester
  • enanthylic ether
  • ethyl capronate
  • ethyl enanthate
  • ethyl heptanoate (natural)
  • ethyl heptanoate 99%, (naturals)
  • ethyl heptanoate natural
  • ethyl heptoate
  • ethyl heptoate FCC
  • ethyl heptoate natural
  • ethyl heptylate
  • ethyl N-heptanoate
  • ethyl N-heptoate
  • ethyl oenanthate
  • ethyl oenanthylate
  • ethyl-heptanoate FCC
  • ethylheptanoate
  • heptanoic acid ethyl ester
  • heptanoic acid, ethyl ester
  • oenanthic ether
  • Enanthic acid, ethyl ester
  • Cognac oil
  • NSC 8891
  • Synthetic cognac oil

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
CHEBI:View
CHEMBL:View
Metabolomics Database:Search
HMDB (The Human Metabolome Database):HMDB00798
FooDB:FDB008200
YMDB (Yeast Metabolome Database):YMDB01474
Export Tariff Code:2915.90.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 158.24085998535
Specific gravity @ 25 °C
Pounds per Gallon 7.214 to 7.256
Refractive Index 1.411 to 1.415 @ 20 °C
Boiling Point 188 to 189°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.68 mmHg @ 25 °C
Vapor Density 5.4
Flash Point TCC Value 66.11 °C TCC
logP (o/w) 3.333 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
fixed oils Yes
paraffin oil Yes
water, 290 mg/L @ 25 °C (exp) Yes
water No
glycerin No
Stability
bath foam Unspecified
cream Unspecified
hair spray Unspecified
lipstick Unspecified
lotion Unspecified
non-discoloring in most media Unspecified

Organoleptic Properties

Odor Type: Fruity
fruity, pineapple, cognac, rummy, winey, sweet, estery, banana, berry, green, seedy
Odor strength medium
Substantivity 56 hour(s) at 100.00 %
Luebke, William tgsc, (1983) At 100.00 %. fruity pineapple cognac rum wine
Mosciano, Gerard P&F 22, No. 2, 69, (1997) Fruity, pineapple, sweet, estry, banana, berry, cognac and slightly green with a seedy nuance
Flavor Type: Fruity
fruity, pineapple, banana, strawberry, spicy, oily
Mosciano, Gerard P&F 22, No. 2, 69, (1997) At 20.00 ppm. Fruity, pineapple, banana and strawberry with a spicy, oily nuance
Useful in: brown nuts, brown others, dairy, fruity red, fruity yellow, fruity tropical, fruity others, sweet others, alcoholics. Sweet, fruity, rum, apple peel
General comment Sweet, fruity, fermenty, rum, brandy, apple-peel, berry notes, waxy, green winey

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Flammable liquids (Category 4), H227
GHS Label elements, including precautionary statements
Pictogramexclamation-mark.jpg
Signal word Warning
Hazard statement(s)
H227 - Combustible liquid
Precautionary statement(s)
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction.
P403 + P235 - Store in a well-ventilated place. Keep cool.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 34640 mg/kg
SKIN AND APPENDAGES (SKIN): HAIR: OTHER BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 19, Pg. 247, 1981.

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 ethyl heptanoate usage levels up to:
10.0000 % in the fragrance concentrate.
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: -24.00000
beverages(nonalcoholic): -6.80000
beverages(alcoholic): 8.5000020.00000
breakfast cereal: --
cheese: --
chewing gum: -340.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -7.50000
fruit ices: -7.50000
gelatins / puddings: 0.06000350.00000
granulated sugar: --
gravies: --
hard candy: -17.00000
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 Authority (EFSA) reference(s):

Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5
View page or View pdf

Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

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

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species
View page or View pdf

Safety of 31 flavouring compounds belonging to different chemical groups when used as feed additives for all animal species
View page or View pdf

EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):106-30-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7797
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
ethyl heptanoate
Chemidplus:0000106309
RTECS:MJ2087000 for cas# 106-30-9