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2-hepten-4-one

Chemical Structure

General Material Information

Preferred name 2-hepten-4-one
Trivial Name 2-Hepten-4-one
Short Description ethyl ethylidene acetone
Formula C7 H12 O
CAS Number 4643-25-8
FEMA Number 3399
Flavis Number 7.104
ECHA Number 225-070-1
FDA UNII RSJ7CM9MIK
Nikkaji Number J297.861J
COE Number 11093
xLogP3-AA 1.60 (est)
NMR Predictor External link
JECFA Food Flavoring 1126 2-hepten-4-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 4643-25-8 ; 2-HEPTEN-4-ONE
Synonyms
  • 1-butyrl propylene
  • ethyl ethylidene acetone
  • hept-2-en-4-one
  • 2 hepten 4 one
  • propenyl propyl ketone
  • 5-Hepten-4-one
  • 1-Propenyl propyl ketone

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

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Perfumer & Flavorists Start search
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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):HMDB31488
FooDB:FDB008066
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 112.17183685303
Specific gravity @ 25 °C
Pounds per Gallon 7.031 to 7.089
Refractive Index 1.44 to 1.445 @ 20 °C
Boiling Point 156 to 157°C @ 760 mm Hg
Boiling Point 74 to 75°C @ 12 mm Hg
Vapor Pressure 2.703 mmHg @ 25 °C
Flash Point TCC Value 52.22 °C TCC
logP (o/w) 1.67 est
Solubility
alcohol Yes
water, slightly Yes
water, 3087 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Ethereal
ethereal
General comment At 0.10 % in propylene glycol. ethereal
Flavor Type: Vegetable
asparagus, vegetable
General comment Asparagus

Occurrences

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:
flavoring agents
Recommendation for 2-hepten-4-one usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
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: 7
Click here to view publication 7
average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -2.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: -1.00000
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):

Scientific Opinion on Flavouring Group Evaluation 204 (FGE.204): Consideration of genotoxicity data on representatives for 18 mono-unsaturated, aliphatic, a,ß-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19 by EFSA
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 204 Revision 1 (FGE.204Rev1): consideration of genotoxicity data on representatives for 17 monounsaturated, aliphatic, a,ß-unsaturated ketones and precursors from chemical subgroup 1.2.1 of FGE.19
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):4643-25-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5463238
National Institute of Allergy and Infectious Diseases:Data
hept-2-en-4-one
Chemidplus:0004643258