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heptyl acetate

Chemical Structure

General Material Information

Preferred name heptyl acetate
Trivial Name Heptyl acetate
Short Description acetic acid, heptyl ester
Formula C9 H18 O2
CAS Number 112-06-1
Deleted CAS Number 25360-20-7
FEMA Number 2547
Flavis Number 9.022
ECHA Number 203-932-8
FDA UNII 6551B78I5U
Nikkaji Number J33.459F
Beilstein Number 1752297
MDL MFCD00027311
COE Number 212
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 129 heptyl acetate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 112-06-1 ; HEPTYL ACETATE
Synonyms
  • acetate C-7
  • acetic acid heptyl ester
  • acetic acid heptylester
  • acetic acid, heptyl ester
  • heptanol acetate
  • heptanyl acetate
  • 1-heptyl acetate
  • N- heptyl acetate
  • N heptyl acetate
  • heptyl acetate (natural)
  • heptyl acetate natural
  • heptyl ethanoate
  • N- heptyl ethanoate
  • heptyl-acetate
  • n-Heptyl acetate
  • 1-Heptyl acetate
  • Heptyl alcohol, acetate
  • NSC 3833

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

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Perfumer & Flavorists Start search
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PubMeb Start search
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31480
FooDB:FDB008054
YMDB (Yeast Metabolome Database):YMDB01476
Export Tariff Code:2915.39.4550
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 158.24085998535
Specific gravity @ 25 °C
Pounds per Gallon 7.173 to 7.256
Refractive Index 1.4086 to 1.4186 @ 20 °C
Boiling Point 192 to 193°C @ 760 mm Hg
Boiling Point 46 to 47°C @ 1 mm Hg
Vapor Pressure 0.51 mmHg @ 25 °C
Vapor Density 5.5
Flash Point TCC Value 67.78 °C TCC
logP (o/w) 3.333 est
Solubility
alcohol Yes
water, 101.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
fresh, green, rummy, fruit ripe fruit, pear, apricot, woody, waxy, fatty, citrus, aldehydic, winey
Odor strength medium
Substantivity 6 hour(s) at 100.00 %
Luebke, William tgsc, (1984) At 100.00 %. fresh green rum ripe fruit pear apricot woody
Mosciano, Gerard P&F 21, No. 5, 49, (1996) Green, waxy, fatty, citrus, aldehydic, winey and woody
Flavor Type: Green
green, fatty, spicy, citrus, soapy, aldehydic, floral
Mosciano, Gerard P&F 21, No. 5, 49, (1996) At 7.50 ppm. Green, fatty, spicy, citrus, soapy and aldehydic with a floral nuance
General comment Green, citrus, floral, spicy, soapy, aldehydic, fatty

Occurrences

Potential Uses

Applications
Odor purposes Apple, Apricot, Cream, Currant, Date, Floral, Foliage, Fresh and clean, Green, Jasmin, Lemon, Moss, Pear, Plum, Quince, Rose
Flavoring purposes Beer, Grenadine
Cosmetic purposes Perfuming agents

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.
Human Experience:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 813, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 813, 1974.

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 acetate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 56.00 (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: -4.80000
beverages(nonalcoholic): -4.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -3.30000
fruit ices: -3.30000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -4.90000
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

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):112-06-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8159
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
heptyl acetate
Chemidplus:0000112061
EPA/NOAA CAMEO:hazardous materials
RTECS:AH9901000 for cas# 112-06-1