isopiperitenone
2-cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-
 
Notes:
None found
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3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one (Click)
CAS Number: 529-01-1Picture of molecule
Other: 63844-92-8
Nikkaji Web: J37.660D
XlogP3-AA: 2.30 (est)
Molecular Weight: 150.22078000
Formula: C10 H14 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 228.00 to  229.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.072000 mm/Hg @ 25.00 °C. (est)
Flash Point: 196.00 °F. TCC ( 91.11 °C. )
logP (o/w): 2.409 (est)
Soluble in:
 alcohol
 water, 182.1 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
 sweet  herbal  fruity  
Odor Description:
at 100.00 %. 
sweet herbal fruity
  
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
 
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Safety References:
EPI System: View
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 79036
National Institute of Allergy and Infectious Diseases: Data
 3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
Chemidplus: 0000529011
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References:
 3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 79036
Pubchem (sid): 135036265
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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
CHEBI: View
UM BBD: Search
KEGG (GenomeNet): C02289
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FooDB: FDB003858
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
acidic
2-methyl-2-pentenoic acidFL/FR
alcoholic
 fusel oilFL/FR
anisic
 amyl furoateFL/FR
balsamic
 benzyl cinnamateFL/FR
caramellic
 diethyl malateFL/FR
citrus
2-heptanolFL/FR
earthy
 spathulenol 
ethereal
 ethyl 4-pentenoateFL/FR
fatty
 butyl undecylenateFL/FR
floral
 acetal 318FR
isoamyl angelateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl acetoneFL/FR
 benzyl formateFL/FR
 boronia absoluteFL/FR
 butyl tiglateFR
 cassis cyclohexeneFR
 citronellyl acetateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geraniolFL/FR
 geranyl tiglateFL/FR
beta-iononeFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 menthadienyl formateFR
ortho-methoxybenzyl ethyl etherFR
 methoxymelonalFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
N-methyl iononeFR
alpha-isomethyl ionone (90% min.)FL/FR
 nonan-3-yl acetateFL/FR
3-nonanoneFL/FR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 rose undeceneFR
 star fruit oil cubaFL/FR
isoamyl propionateFL/FR
para-anisyl propionateFL/FR
para-menth-1-ene-9-olFL/FR
3-mercaptohexyl acetateFL/FR
2-methyl butyl isovalerateFL/FR
 rhubarb pyranFR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
 butyl heptanoateFL/FR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl tiglateFL/FR
1-penten-3-olFL/FR
herbal
isoamyl heptanoateFL/FR
 buchu mercaptan acetateFL/FR
 butyl levulinateFL/FR
 chamomile propionateFR
 chamomile valerateFR
 clary propyl acetateFR
 coriander oleoresinFL/FR
 cuminyl acetateFL/FR
 herbal undecanoneFR
 linalyl octanoateFL/FR
1-para-menthen-9-yl acetateFL/FR
 methyl cyclogeranateFR
 methyl hexyl etherFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 nonisyl acetateFR
3-octanon-1-olFL/FR
beta-sesquiphellandrene 
 rue flower oil colombia 
 rue oilFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
 tricyclodecenyl propionateFR
 viridiflorolFL/FR
orris
 orris capronateFL/FR
spicy
N,N-diethyl octanamideFR
tropical
 tropical 3-thiobutyrateFL/FR
woody
2-decalinyl acetateFR
 patchouli absoluteFR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl 3-methyl thiopropionateFL
isoamyl angelateFL/FR
 amyl angelateFL
 amyl furoateFL/FR
para-anisyl propionateFL/FR
 benzyl methyl tiglateFL
isobutyl heptanoateFL/FR
 cuminyl acetateFL/FR
 diethyl malateFL/FR
2,4-difurfuryl furanFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL/FR
 ethyl 3-octenoateFL
 ethyl 4-pentenoateFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 nonan-3-yl acetateFL/FR
3-nonanoneFL/FR
3-octanon-1-olFL/FR
beta-sesquiphellandrene 
 rue flower oil colombia 
 spathulenol 
 viridiflorolFL/FR
acidic
(E)-2-hexenoic acidFL
alliaceous
 tropical thiazoleFL/FR
aromatic
 dimethyl benzyl carbinyl acetateFL/FR
citrus
 petitgrain lemon oilFL/FR
coconut
 butyl heptanoateFL/FR
ethereal
 methyl hexyl etherFL/FR
fatty
 butyl undecylenateFL/FR
floral
 benzyl acetoacetateFL/FR
 citronellyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 geraniolFL/FR
 geranyl tiglateFL/FR
 jasmin absolute egypt (from concrete)FL/FR
 tropical iononeFL/FR
fruity
isoamyl propionateFL/FR
 benzyl acetateFL/FR
 benzyl acetoneFL/FR
 benzyl formateFL/FR
 boronia absoluteFL/FR
 buchu mercaptan acetateFL/FR
 fusel oilFL/FR
2-heptanolFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
1-para-menthen-9-yl acetateFL/FR
 methoxymelonalFL/FR
2-methyl butyl isovalerateFL/FR
 phenethyl isovalerateFL/FR
 star fruit oil cubaFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 tagete oil south africaFL/FR
 tagete oil turkeyFL/FR
 tagete oil zambiaFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
isobutyl methyl ketoneFL/FR
 coriander oleoresinFL/FR
 hexyl tiglateFL/FR
1-penten-3-olFL/FR
herbal
isoamyl heptanoateFL/FR
 butyl levulinateFL/FR
 linalyl octanoateFL/FR
para-menth-1-ene-9-olFL/FR
 orris capronateFL/FR
 rue oilFL/FR
honey
 phenethyl isobutyrateFL/FR
sour
2-methyl-2-pentenoic acidFL/FR
spicy
 benzyl cinnamateFL/FR
sulfurous
 tropical 3-thiobutyrateFL/FR
tropical
alpha-amyl cinnamaldehydeFL/FR
3-mercaptohexyl acetateFL/FR
vegetable
2-octen-4-oneFL/FR
woody
beta-iononeFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
 fruitFR
 herbalFR
 mintFR
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Occurrence (nature, food, other): note
 dill shoot oil
Search Trop  Picture
 dill weed oil cuba @ 0.40%
Data  GC  Search Trop  Picture
 gingergrass oil @ 0.11%
Data  GC  Search Trop  Picture
 horsemint shoot
Search Trop  Picture
 lime oil expressed florida @ trace%
Data  GC  Search Trop  Picture
 mastic fruit oil @ 2.21%
Data  GC  Search Trop  Picture
 mentha longifolia (l.) huds. oil jordan @ 0.50%
Data  GC  Search Trop  Picture
 mentha pulegium var. villona benth.
Search Trop  Picture
 orange peel oil bitter china @ 0.02%
Data  GC  Search Trop  Picture
 pennyroyal oil @ trace%
Data  GC  Search Trop  Picture
 tagete oil turkey @ 0.26%
Data  GC  Search Trop  Picture
 tsauri grass oil @ 1.40%
Data  GC  Search Trop  Picture
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Synonyms:
2-cyclohexen-1-one, 3-methyl-6- (1-methylethenyl)-
2-cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-
p-mentha-1,8-dien-3-one
para-mentha-1,8-dien-3-one
p-mentha-1,8(9)-dien-3-one
para-mentha-1,8(9)-dien-3-one
1,8-para-menthadien-3-one
1,8(9)-p-menthadien-3-one
1,8(9)-para-menthadien-3-one
1-methyl-4-isopropenyl-1-cyclohexen-3-one
3-methyl-6-(1-methyl ethenyl)-2-cyclohexen-1-one
3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-one
3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one
3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
isopiperitenon
(-)-isopiperitenone
6-isopropenyl-3-methyl-2-cyclohexen-1-one
6-isopropenyl-3-methylcyclohex-2-en-1-one
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Articles:
PubMed: Isolation and characterization of isopiperitenol dehydrogenase from piperitenone-type Perilla.
PubMed: Chemical ecology of astigmatid mites LXXXVII. S-(+)-isopiperitenone: re-identification of the alarm pheromone as the female sex pheromone in Tyrophagus similis (Acari: Acaridae).
PubMed: Immunocytochemical localization of short-chain family reductases involved in menthol biosynthesis in peppermint.
PubMed: (-)-Menthol biosynthesis and molecular genetics.
PubMed: Monoterpene metabolism. Cloning, expression, and characterization of (-)-isopiperitenol/(-)-carveol dehydrogenase of peppermint and spearmint.
PubMed: Metabolic engineering of monoterpene biosynthesis: two-step production of (+)-trans-isopiperitenol by tobacco.
PubMed: Monoterpene double-bond reductases of the (-)-menthol biosynthetic pathway: isolation and characterization of cDNAs encoding (-)-isopiperitenone reductase and (+)-pulegone reductase of peppermint.
PubMed: Role of jasmonic acid in biotransformation of (--)-isopiperitenone in suspension cell culture of Mentha piperita.
PubMed: Modified Monoterpenes from Biotransformation of (-)-Isopiperitenone by Suspension Cell Culture of Mentha piperita
PubMed: Production of (-)-7-Hydroxyisopiperitenone from (-)-Isopiperitenone by a Suspension Cell Culture of Mentha piperita.
PubMed: Metabolism of monoterpenes: demonstration that (+)-cis-isopulegone, not piperitenone, is the key intermediate in the conversion of (-)-isopiperitenone to (+)-pulegone in peppermint (Mentha piperita).
PubMed: Metabolism of monoterpenes: oxidation of isopiperitenol to isopiperitenone, and subsequent isomerization to piperitenone by soluble enzyme preparations from peppermint (Mentha piperita) leaves.
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