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heptyl formate

Chemical Structure

General Material Information

Preferred name heptyl formate
Trivial Name Heptyl formate
Short Description formic acid, heptyl ester
Formula C8 H16 O2
CAS Number 112-23-2
FEMA Number 2552
Flavis Number 9.074
ECHA Number 203-949-0
FDA UNII PU6O623G48
Nikkaji Number J34.717E
Beilstein Number 1750248
MDL MFCD00053380
COE Number 341
xLogP3-AA 3.00 (est)
NMR Predictor External link
JECFA Food Flavoring 121 heptyl formate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 112-23-2 ; HEPTYL FORMATE
Synonyms
  • formic acid heptyl ester
  • formic acid, heptyl ester
  • heptanol formate
  • heptanol, formate
  • heptyl alcohol formate
  • N- heptyl formate
  • heptyl methanoate
  • N- heptyl methanoate
  • heptyl methanote
  • n-Heptyl formate
  • 1-Heptyl formate

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

Google Scholar Start search
Google Books Start search
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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):HMDB34459
FooDB:FDB012868
Export Tariff Code:2915.13.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 144.21391296387
Specific gravity @ 25 °C
Pounds per Gallon
Boiling Point 177 to 178°C @ 760 mm Hg
Boiling Point 76 to 77°C @ 25 mm Hg
Vapor Pressure 1 mmHg @ 25 °C
Flash Point TCC Value 60 °C TCC
logP (o/w) 2.924 est
Solubility
alcohol Yes
ether Yes
water, 344.7 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, waxy, floral, herbal, plum, apple, cucumber, vegetable, fruity
Odor strength medium
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1988) At 100.00 %. green waxy floral herbal plum apple cucumber
Mosciano, Gerard P&F 26, No. 2, 40, (2001) At 1.00 %. Green, waxy, floral, herbaceous, with a slight vegetative cucumber and unripe fruity nuance
Flavor Type: Fatty
fatty, waxy, oily, floral, vegetable, cognac
Mosciano, Gerard P&F 26, No. 2, 40, (2001) At 5.00 - 10.00 ppm. Fatty, waxy, oily, slight floral with a vegetative nuance. It has a slight oenanthate under note

Occurrences

Potential Uses

Applications
Odor purposes Apple, Apricot, Coconut, Cream, Cucumber, Grape, Kumquat, Melon, Orris, Peach, Plum, Rose, Wine
Cosmetic purposes Perfuming agents

Safety Information

Safety information

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 36/39 - Wear suitable clothing and eye/face protection.
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:
12 % solution: no irritation or sensitization.
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 formate usage levels up to:
8.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.00 (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: -3.30000
beverages(nonalcoholic): -1.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.87000
fruit ices: -0.87000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.60000
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):112-23-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8169
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:2
heptyl formate
Chemidplus:0000112232
RTECS:LQ8582000 for cas# 112-23-2