6-methyl-3-hepten-2-one
3-hepten-2-one, 6-methyl-

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CODE153837 CODE153837

Product(s):

CAS Number:	2009-74-7	3D/inchi
FDA UNII:	Search
XlogP3-AA:	2.00 (est)
Molecular Weight:	126.19878000
Formula:	C8 H14 O
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:flavor and fragrance agents

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
DG SANTE Food Flavourings:	07.258 6-methyl-3-hepten-2-one

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	96.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.84200 to 0.84800 @ 25.00 °C.
Pounds per Gallon - (est).:	7.006 to 7.056
Refractive Index:	1.43600 to 1.44200 @ 20.00 °C.
Boiling Point:	174.00 to 178.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.962000 mmHg @ 25.00 °C. (est)
Flash Point:	144.00 °F. TCC ( 62.22 °C. )
logP (o/w):	1.973 (est)
Soluble in:
	alcohol
	water, 1208 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: green

oily green herbal

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

Chemical Sources Association

Need This Item for Flavor/Food?: You can contact the Chemical Sources Association

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,�-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,�-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

References:

	6-methylhept-3-en-2-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	137281
Pubchem (sid):	104389508

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