6-methyl-3-hepten-2-one
3-hepten-2-one, 6-methyl-
 
Notes:
None found
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6-methylhept-3-en-2-one (Click)
CAS Number: 2009-74-7Picture of molecule
XlogP3-AA: 2.00 (est)
Molecular Weight: 126.19878000
Formula: C8 H14 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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IBM Patents: Obtain
Pubchem Patents: Search
Flavis Number: 07.258 (Old)
DG SANTE Food Flavourings: 07.258  6-methyl-3-hepten-2-one
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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 mm/Hg @ 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
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Organoleptic Properties:
Odor Type: green
 oily  green  herbal  
Odor Description:
oily green herbal
  
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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
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Safety in Use Information:
Category: flavor and fragrance agents
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Structure Class: II
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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
EPI System: View
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
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References:
 6-methylhept-3-en-2-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 137281
Pubchem (sid): 104389508
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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
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Potential Blenders and core components note
 
For Odor
animal
isobutyl quinolineFR
anisic
 estragoleFL/FR
balsamic
 cinnamyl formateFL/FR
coconut
delta-heptalactoneFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
fatty
(E)-2-octenalFL/FR
floral
 dihydrorose oxideFR
 dimethyl benzyl carbinyl butyrateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
(Z)-methyl epi-jasmonateFL/FR
 methyl jasmonateFL/FR
 neryl formateFL/FR
2-pentyl cyclopentanoneFR
isophytolFL/FR
 rose pyranFR
fruity
 tropical indeneFR
green
 bark carbaldehydeFR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
2-sec-butyl thiazoleFL/FR
 coriander heptenolFL/FR
 heptanal (aldehyde C-7)FL/FR
1-heptanolFL/FR
1-hepten-3-olFL/FR
(E)-4-hexen-1-ol 
(Z)-4-hexen-1-olFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl hexanoateFL/FR
english ivy leaf absoluteFR
 privet dioxaneFR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
herbal
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl formateFL/FR
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower oil romanFL/FR
sweet basil absoluteFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl formateFL/FR
cis-herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
 hop absoluteFL/FR
 hop oilFL/FR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
 nonisyl formateFR
1-octen-3-yl acetateFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 perillaldehydeFL/FR
 reseda absoluteFR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 theaspiraneFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
 wormwood oil americaFL/FR
minty
(-)-isopulegolFL/FR
mossy
 treemoss absoluteFR
pine
 dipentene terpene hydrocarbon byproductsFR
spicy
isobutyl angelateFL/FR
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
isocyclogeraniol (IFF)FR
waxy
 heptyl octanoateFL/FR
woody
alpha-thujene 
 verdoxanFR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl formateFL/FR
isobutyl heptanoateFL/FR
4-butyl thiazoleFL
2-sec-butyl thiazoleFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 cinnamyl formateFL/FR
 coriander heptenolFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 ethyl 4-pentenoateFL/FR
 fig leaf absoluteFL
delta-heptalactoneFL/FR
 heptanal (aldehyde C-7)FL/FR
(E,E)-2,4-hexadien-1-olFL
 linalyl formateFL/FR
(Z)-methyl epi-jasmonateFL/FR
(E)-6-methyl-3-hepten-2-oneFL/FR
2-propyl thiazoleFL
(-)-isopulegolFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
alpha-thujene 
 viridiflorolFL/FR
cooling
 theaspiraneFL/FR
fatty
(E)-2-octenalFL/FR
floral
 dimethyl benzyl carbinyl butyrateFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 methyl jasmonateFL/FR
fruity
 hexyl hexanoateFL/FR
 neryl formateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
green
isobutyl angelateFL/FR
isobutyl methyl ketoneFL/FR
1-hepten-3-olFL/FR
(E)-4-hexen-1-ol 
(Z)-4-hexen-1-olFL/FR
3-hexenyl 2-methyl butyrateFL/FR
1-octen-3-yl acetateFL/FR
herbal
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower oil romanFL/FR
sweet basil absoluteFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 linalyl octanoateFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 wormwood oil americaFL/FR
licorice
 estragoleFL/FR
oily
isophytolFL/FR
solvent
1-heptanolFL/FR
spicy
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
 perillaldehydeFL/FR
waxy
 heptyl octanoateFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
3-hepten-2-one, 6-methyl-
6-methyl hept-3-en-2-one
6-methylhept-3-en-2-one
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