6-methyl-3-hepten-2-one
3-hepten-2-one, 6-methyl-
 
Notes:
None found
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CAS Number: 2009-74-7Picture of molecule3D/inchi
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
 
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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 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
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Organoleptic Properties:
 
Odor Type: green
 
 oily  green  herbal  
 
Odor and/or flavor descriptions from others (if found).
 
 
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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 CSA
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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
aldehydic
 agrumen nitrileFR
animal
isobutyl quinolineFR
anisic
 estragoleFL/FR
 ocimum basilicum leaf oil americaFL/FR
balsamic
 cinnamyl formateFL/FR
christmas pine fragranceFR
caramellic
2-isobutyl-3-methyl pyrazineFL/FR
citrus
isodecyl acetateFR
 ocimene quintoxideFL/FR
 valenceneFL/FR
coconut
delta-heptalactoneFL/FR
earthy
 geosminFL/FR
1-octen-3-olFL/FR
(S)-1-octen-3-olFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
2-octenalFL/FR
(E)-2-octenalFL/FR
floral
 cassis oxime 10%FR
 cilantro herb oil egyptFL/FR
 cymbopogon validus leaf oilFR
 dictamnus hispanicus oilFR
 dihydrocitronellyl ethyl etherFR
 dihydrorose oxideFR
 dimethyl benzyl carbinyl butyrateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
2,4-dimethyl-alpha-allyl-3-cyclohexene methanol 
4,6-dimethyl-alpha-allyl-3-cyclohexene methanol 
 gardenia pentyl acetateFR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 herbal pyranFR
 jasmopyrane (Givaudan)FR
 linden flower absoluteFR
 melaleuca ericifolia leaf oilFR
para-methyl benzyl acetateFL/FR
(Z)-methyl epi-jasmonateFL/FR
 methyl jasmonateFL/FR
 neryl formateFL/FR
3-nonanoneFL/FR
2-pentyl cyclopentanoneFR
isophytolFL/FR
 prenyl salicylateFL/FR
 reseda absoluteFR
 rose pyranFR
5-tricyclodecenyl acetateFR
fruity
 butyl 2-decenoateFL/FR
3-butyl bicyclo[3.2.1]-6-octen-2-oneFR
isobutyl octanoateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
 nerolidyl isobutyrateFR
 octyl butyrateFL/FR
isopropyl 2-methyl butyrateFL/FR
 tropical indeneFR
garlic
4-methyl-2-[2-(methyl thio)ethyl]-1,3-oxathiane 
green
 agrumen aldehydeFR
 bark carbaldehydeFR
 birch leaf specialtyFR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
2-sec-butyl thiazoleFL/FR
S-sec-butyl thioisovalerateFL/FR
 carrot leaf oil (daucus carota ssp.maximus)FR
 chrysanthemum carbaldehydeFR
 coriander heptenolFL/FR
 heptanal (aldehyde C-7)FL/FR
1-heptanolFL/FR
1-hepten-3-olFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
 heptyl benzoateFL/FR
(Z)-4-hexen-1-olFL/FR
(E)-4-hexen-1-ol 
(Z)-3-hexen-1-yl pyruvateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl hexanoateFL/FR
english ivy leaf absoluteFR
 marigold pot absoluteFL/FR
2-(2-methyl allyl oxy) heptaneFR
 olive oil absoluteFL/FR
 privet dioxaneFR
3-propyl bicyclo(3.2.1)-6-octen-2-oneFR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
(E,E)-sorbyl acetate 
 terpinyl propionateFL/FR
 triplal / ethyl anthranilate schiff's baseFR
 violet decenolFR
herbal
6-acetoxydihydrotheaspiraneFL/FR
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
alpha-amyl cinnamyl formateFL/FR
 anethum graveolens herb oilFL/FR
 anethum graveolens herb tinctureFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
 apium graveolens seed oil indiaFL/FR
 artemisia alba oilFR
sweet basil absoluteFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 chrysanthemum ketoneFR
 coriander oleoresinFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl formateFL/FR
2-(2,4-dimethyl-3-cyclohexene-1-yl)-4,4-dimethyl-1,3-oxathianeFR
cis-herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
 hop absoluteFL/FR
 hop oilFL/FR
 lantana camara flower oilFR
 linalyl formateFL/FR
 linalyl octanoateFL/FR
 marigold oil mexicoFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
1-(2-methyl allyl oxy) heptaneFR
(E)-6-methyl-3-hepten-2-oneFL/FR
 mistletoe absolute 
 monarda fistulosa oilFR
 nonisyl formateFR
(E,Z)-3,5-octadien-2-one 
1-octen-3-yl acetateFL/FR
 oregano specialtyFR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 perilla leaf oilFL/FR
 perillaldehydeFL/FR
laevo-perillaldehydeFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 phenyl acetaldehyde diisoamyl acetalFR
 prenyl senecioateFL/FR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 theaspiraneFL/FR
 thyme absoluteFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
 wormwood oil americaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
melon
 melon heptenalFL/FR
minty
(-)-menthoneFL/FR
(-)-isopulegolFL/FR
mossy
 treemoss absoluteFR
pine
 dipentene terpene hydrocarbon byproductsFR
soapy
 methyl anthranilate / hexyl cinnamaldehyde schiff's baseFR
spicy
isobutyl angelateFL/FR
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
isocyclogeraniol (IFF)FR
 origanum majorana oilFL/FR
 outdoors specialtyFR
 spicy carbonateFR
waxy
 heptyl octanoateFL/FR
 octyl isobutyrateFL/FR
woody
 cinnamyl tiglateFL/FR
 dalbergia sissoo leaf oilFR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 louro brasileiro wood oilFR
 sabineneFL/FR
alpha-thujene 
 verdoxanFR
 
For Flavor
 
No flavor group found for these
6-acetoxydihydrotheaspiraneFL/FR
4-acetyl-2-isopropenyl pyridineFL
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
alpha-amyl cinnamyl formateFL/FR
isobutyl heptanoateFL/FR
isobutyl octanoateFL/FR
2-sec-butyl thiazoleFL/FR
4-butyl thiazoleFL
S-sec-butyl thioisovalerateFL/FR
 cinnamyl tiglateFL/FR
 coriander heptenolFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 ethyl 4-pentenoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
 fig leaf absoluteFL
 heptyl benzoateFL/FR
(E,E)-2,4-hexadien-1-olFL
 linalyl formateFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
4-methyl-2-[2-(methyl thio)ethyl]-1,3-oxathiane 
(E)-6-methyl-3-hepten-2-oneFL/FR
 mistletoe absolute 
(E,Z)-3,5-octadien-2-one 
(S)-1-octen-3-olFL/FR
2-octenalFL/FR
3-octyl butyrateFL
 perilla leaf oilFL/FR
 prenyl senecioateFL/FR
2-propyl thiazoleFL
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
alpha-thujene 
ortho-vinyl anisoleFL
 viridiflorolFL/FR
aromatic
laevo-perillaldehydeFL/FR
citrus
 valenceneFL/FR
cooling
 theaspiraneFL/FR
creamy
 octyl isobutyrateFL/FR
earthy
 geosminFL/FR
fatty
(E,E)-2,4-heptadienalFL
(E)-2-octenalFL/FR
floral
 dimethyl benzyl carbinyl butyrateFL/FR
4,6-dimethyl-alpha-allyl-3-cyclohexene methanol 
2,4-dimethyl-alpha-allyl-3-cyclohexene methanol 
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
(Z)-methyl epi-jasmonateFL/FR
 methyl jasmonateFL/FR
fruity
 butyl 2-decenoateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 hexyl hexanoateFL/FR
 linalyl octanoateFL/FR
para-methyl benzyl acetateFL/FR
 neryl formateFL/FR
isopropyl 2-methyl butyrateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
green
 anethum graveolens herb tinctureFL/FR
isobutyl angelateFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl-3-methyl pyrazineFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 celery distillatesFL
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 heptanal (aldehyde C-7)FL/FR
1-hepten-3-olFL/FR
(Z)-4-heptenal diethyl acetalFL/FR
(Z)-4-hexen-1-olFL/FR
(E)-4-hexen-1-ol 
(Z)-3-hexen-1-yl pyruvateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 marigold pot absoluteFL/FR
 melon heptenalFL/FR
3-nonanoneFL/FR
 ocimene quintoxideFL/FR
1-octen-3-yl acetateFL/FR
(E,E)-sorbyl acetate 
 sorbyl acetateFL
 terpinyl propionateFL/FR
herbal
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
 apium graveolens seed oil indiaFL/FR
sweet basil absoluteFL/FR
 celery seed oleoresinFL
 cilantro herb oil egyptFL/FR
 coriander oleoresinFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 marigold oil mexicoFL/FR
 ocimum basilicum leaf oil americaFL/FR
 origanum majorana oilFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 prenyl salicylateFL/FR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 thyme absoluteFL/FR
 wormwood oil americaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
lactonic
delta-heptalactoneFL/FR
licorice
 estragoleFL/FR
minty
(-)-menthoneFL/FR
(-)-isopulegolFL/FR
mushroom
1-octen-3-olFL/FR
oily
 olive oil absoluteFL/FR
isophytolFL/FR
solvent
1-heptanolFL/FR
spicy
 cinnamyl formateFL/FR
(-)-cubenolFL/FR
 cuminaldehydeFL/FR
 perillaldehydeFL/FR
waxy
 heptyl octanoateFL/FR
 octyl butyrateFL/FR
woody
 sabineneFL/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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