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(E)-6-methyl-3-hepten-2-one

Chemical Structure

General Material Information

Preferred name (E)-6-methyl-3-hepten-2-one
Trivial Name (3E)-6-Methyl-3-hepten-2-one
Short Description (6E)-methyl-3-hepten-2-one
Formula C8 H14 O
CAS Number 20859-10-3
FEMA Number 4001
Flavis Number 7.244
FDA UNII UCK6O61TJ3
Nikkaji Number J1.437.462K
xLogP3-AA 2.00 (est)
NMR Predictor External link
JECFA Food Flavoring 1138 (E)-6-methyl-3-hepten-2-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 20859-10-3 ; 6-METHYL-3-HEPTEN-2-ONE, TRANS-
Synonyms
  • 3-hepten-2-one, 6-methyl-, (3E)-
  • 6 methyl 3 hepten 2 one
  • (E)-6-methyl hept-3-en-2-one
  • trans-6-methyl hept-3-en-2-one
  • (6E)- methyl-3-hepten-2-one
  • trans-6-methyl-3-hepten-2-one
  • (3E)-6-methylhept-3-en-2-one
  • (E)-6-methylhept-3-en-2-one
  • trans-6-methylhept-3-en-2-one
  • (E)-6-methylhept-3-en-2-one
  • 3-Hepten-2-one, 6-methyl-, (3E)-
  • 3-Hepten-2-one, 6-methyl-, (E)-
  • (3E)-6-Methyl-3-hepten-2-one
  • (3E)-6-Methylhept-3-en-2-one

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
HMDB (The Human Metabolome Database):HMDB32403
FooDB:FDB009838
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 126.19877624512
Specific gravity @ 25 °C
Pounds per Gallon 6.99 to 7.073
Refractive Index 1.438 to 1.447 @ 20 °C
Boiling Point 170 to 178°C @ 760 mm Hg
Vapor Pressure 0.962 mmHg @ 25 °C
Flash Point TCC Value 62.78 °C TCC
logP (o/w) 1.973 est
Solubility
alcohol Yes
water, 1208 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Herbal
tropical, oily, green, herbal, fruity
General comment At 1.00 % in dipropylene glycol. tropical oily green herbal fruity

Potential Uses

Applications
Odor purposes Balsam, Floral, Green, Herbal, Pine
Other purposes Fir

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:
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 (E)-6-methyl-3-hepten-2-one usage levels up to:
0.4000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (μg/capita/day)
Structure Class: II
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: 20
Click here to view publication 20
average usual ppmaverage maximum ppm
baked goods: 3.000006.00000
beverages(nonalcoholic): 1.000001.50000
beverages(alcoholic): 1.000001.50000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.000004.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 2.000004.00000
imitation dairy: 1.000002.00000
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: 1.000002.00000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5462986
National Institute of Allergy and Infectious Diseases:Data
(E)-6-methylhept-3-en-2-one
Chemidplus:0020859103