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heptanoic acid

Chemical Structure

General Material Information

Preferred name heptanoic acid
Trivial Name Heptanoic acid
Short Description oenanthic acid
Formula C7 H14 O2
CAS Number 111-14-8
FEMA Number 3348
Flavis Number 8.028
ECHA Number 203-838-7
FDA UNII THE3YNP39D
Nikkaji Number J1.985B
Beilstein Number 1744723
MDL MFCD00004426
COE Number 28
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 96 heptanoic acid
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 111-14-8 ; HEPTANOIC ACID
Synonyms
  • enanthic acid
  • enanthylic acid
  • 2-etossietil-acetato
  • 1-heptanoic acid
  • N- heptanoic acid
  • nat. heptanoic acid
  • heptanoic acid 99%, (naturals)
  • heptanoic acid natural
  • heptanoic acid, natural
  • heptoic acid
  • N- heptoic acid
  • N- heptylic acid
  • 1-hexane carboxylic acid
  • 1-hexanecarboxylic acid
  • oenanthic acid
  • oenanthylic acid
  • n-Heptoic acid
  • Heptylic acid
  • 1-Hexanecarboxylic acid
  • n-Heptylic acid
  • n-Heptanoic acid
  • NSC 2192
  • Enanthoic acid

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

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Literature & References

heptanoic acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:111-14-8
Pubchem (cid):8094
Pubchem (sid):134974864
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)

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
FDA Indirect Additives used in Food Contact Substances:View
CHEBI:View
CHEMBL:View
Golm Metabolome Database:Search
KEGG (GenomeNet):C17714
HMDB (The Human Metabolome Database):HMDB00666
FooDB:FDB008051
YMDB (Yeast Metabolome Database):YMDB01705
Export Tariff Code:2915.90.1800
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 130.18698120117
Specific gravity @ 25 °C
Pounds per Gallon 7.572 to 7.739
Refractive Index 1.417 to 1.427 @ 20 °C
Melting Point -11 to -9°C @ 760 mm Hg
Boiling Point 222 to 223°C @ 760 mm Hg
Vapor Pressure 0.058 mmHg @ 25 °C
Vapor Density 4.4
Flash Point TCC Value 110 °C TCC
logP (o/w) 2.42
Solubility
alcohol Yes
water, 2820 mg/L @ 25 °C (exp) Yes
water No

Organoleptic Properties

Odor Type: Cheesy
rancid, sour, cheesy, sweaty, waxy, fermented, pineapple, fruity
General comment At 1.00 % in propylene glycol. rancid sour cheesy sweat
Mosciano, Gerard P&F 22, No. 4, 75, (1997) Cheesy, waxy, sweaty, fermented, pineapple and fruity
Flavor Type: Waxy
waxy, cheesy, fruity, dirty, fatty
Mosciano, Gerard P&F 22, No. 4, 75, (1997) At 5.00 ppm. Waxy, cheesy, fruity, dirty and fatty

Occurrences

Potential Uses

Applications
Odor purposes Banana, Fruit, Passion fruit
Flavoring purposes Cheese, Vinegar
Other purposes Sweaty
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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-rat LD50 7000 mg/kg
Food & Drug Research Laboratories, Inc., Papers. Vol. 123, Pg. -, 1976.

oral-mouse LD50 6400 mg/kg
Biochemical Journal. Vol. 34, Pg. 1196, 1940.

intravenous-mouse LD50 1200 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.

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
Structure Class: I
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: 6. Update in publication number(s): 7
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: -8.00000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: -6.00000
fish products: --
frozen dairy: -2.00000
fruit ices: -2.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -6.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -2.00000
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):

Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - 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

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

EPI System: View
Daily Med:search
NIOSH International Chemical Safety Cards:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):111-14-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8094
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3265
WGK Germany:1
heptanoic acid
Chemidplus:0000111148
EPA/NOAA CAMEO:hazardous materials
RTECS:111-14-8