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6-methyl-3-hepten-2-one

Chemical Structure

General Material Information

Preferred name 6-methyl-3-hepten-2-one
Trivial Name 6-Methyl-3-hepten-2-one
Short Description 3-hepten-2-one, 6-methyl-
Formula C8 H14 O
CAS Number 2009-74-7
Flavis Number 7.258
FDA UNII Search
xLogP3-AA 2.00 (est)
NMR Predictor External link
Synonyms
  • 3-hepten-2-one, 6-methyl-
  • 6-methyl hept-3-en-2-one
  • 6-methylhept-3-en-2-one
  • 3-Hepten-2-one, 6-methyl-
  • 2-Methyl-4-heptene-6-one
  • 2-Methyl-4-hepten-6-one

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PhysChem Properties

Material listed in food chemical codex No
Molecular weight 126.19877624512
Specific gravity @ 25 °C
Pounds per Gallon 7.006 to 7.056
Refractive Index 1.436 to 1.442 @ 20 °C
Boiling Point 174 to 178°C @ 760 mm Hg
Vapor Pressure 0.962 mmHg @ 25 °C
Flash Point TCC Value 62.22 °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: Green
oily, green, herbal

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
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Structure Class: II

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 :137281
National Institute of Allergy and Infectious Diseases:Data
6-methylhept-3-en-2-one
Chemidplus:0002009747