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isopiperitenone
2-cyclohexen-1-one, 3-methyl-6-(1-methylethenyl)-

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CODE103116 CODE103116
Product(s):
529-01-1 3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one 95%

Name:	3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
CAS Number:	529-01-1	3D/inchi
Other(deleted CASRN):	63844-92-8
FDA UNII:	Search
Nikkaji Web:	J37.660D
XlogP3-AA:	2.30 (est)
Molecular Weight:	150.22078000
Formula:	C10 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

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 mmHg @ 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

Organoleptic Properties:

Odor Type: herbal

sweet herbal fruity

Odor Description:at 100.00 %. sweet herbal fruity

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

Cosmetic Information:

None found

Suppliers:

For experimental / research use only.

3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one 95%

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

Safety References:

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 :79036

National Institute of Allergy and Infectious Diseases:Data

3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one

Chemidplus:0000529011

References:

	3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	79036
Pubchem (sid):	135036265

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
CHEBI:	View
UM BBD:	Search
KEGG (GenomeNet):	C02289
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB003858
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

For Odor

No odor group found for these

(E+Z)-4,8-

dimethyl-3,7-nonadien-2-one
FL/FR

acidic

acidic

2-

methyl-2-pentenoic acid
FL/FR

alcoholic

fusel oil
FL/FR

anisic

amyl furoate
FL/FR

balsamic

benzyl cinnamate
FL/FR

caramellic

diethyl malate
FL/FR

citrus

2-

ethereal

ethyl 4-pentenoate
FL/FR

fatty

butyl undecylenate
FL/FR

floral

iso

amyl angelate
FL/FR

alpha-

amyl cinnamaldehyde
FL/FR

benzyl acetate
FL/FR

benzyl acetoacetate
FL/FR

benzyl acetone
FL/FR

benzyl formate
FL/FR

boronia absolute
FL/FR

butyl tiglate
FR

cassis cyclohexene
FR

citronellyl acetate
FL/FR

dimethyl benzyl carbinyl acetate
FL/FR

dimethyl benzyl carbinyl butyrate
FL/FR

geranyl tiglate
FL/FR

beta-

ionone
FL/FR

jasmin absolute egypt (from concrete)
FL/FR

menthadienyl formate
FR

ortho-

methoxybenzyl ethyl ether
FR

methoxymelonal
FL/FR

methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR

N-

methyl ionone
FR

alpha-iso

methyl ionone (90% min.)
FL/FR

nonan-3-yl acetate
FL/FR

3-

petitgrain lemon oil
FL/FR

phenethyl isobutyrate
FL/FR

phenethyl isovalerate
FL/FR

rose undecene
FR

star fruit oil cuba
FL/FR

fruity

iso

amyl propionate
FL/FR

para-

anisyl propionate
FL/FR

para-

menth-1-ene-9-ol
FL/FR

3-

mercaptohexyl acetate
FL/FR

2-

methyl butyl isovalerate
FL/FR

rhubarb pyran
FR

tropical indene
FR

tropical ionone
FL/FR

tropical thiazole
FL/FR

green

iso

amyl 3-(2-furan) propionate
FL/FR

butyl heptanoate
FL/FR

iso

butyl heptanoate
FL/FR

iso

butyl methyl ketone
FL/FR

hexoxyacetaldehyde dimethyl acetal
FR

hexyl tiglate
FL/FR

1-

penten-3-ol
FL/FR

herbal

iso

amyl heptanoate
FL/FR

buchu mercaptan acetate
FL/FR

butyl levulinate
FL/FR

chamomile propionate
FR

chamomile valerate
FR

clary propyl acetate
FR

coriander oleoresin
FL/FR

cuminyl acetate
FL/FR

herbal undecanone
FR

linalyl octanoate
FL/FR

1-para-

menthen-9-yl acetate
FL/FR

methyl cyclogeranate (Firmenich)
FR

methyl hexyl ether
FL/FR

(1S,5R)-

myrtenyl acetate
FL/FR

nonisyl acetate
FR

3-

octanon-1-ol
FL/FR

tagete oil CO2 extract
FL/FR

tagete oil south africa
FL/FR

tagete oil turkey
FL/FR

tagete oil zambia
FL/FR

tricyclodecenyl propionate
FR

viridiflorol
FL/FR

orris

orris capronate
FL/FR

spicy

N,N-

diethyl octanamide
FR

tropical

tropical 3-thiobutyrate
FL/FR

woody

2-

decalinyl acetate
FR

patchouli absolute
FR

yeasty

2-

octen-4-one
FL/FR

For Flavor

No flavor group found for these

iso

amyl 3-methyl thiopropionate
FL

iso

amyl angelate
FL/FR

amyl angelate
FL

amyl furoate
FL/FR

para-

anisyl propionate
FL/FR

benzyl methyl tiglate
FL

iso

butyl heptanoate
FL/FR

cuminyl acetate
FL/FR

diethyl malate
FL/FR

2,4-

difurfuryl furan
FL

(E+Z)-4,8-

dimethyl-3,7-nonadien-2-one
FL/FR

ethyl 3-octenoate
FL

ethyl 4-pentenoate
FL/FR

methyl benzyl acetate (mixed ortho-,meta-,para-)
FL/FR

nonan-3-yl acetate
FL/FR

3-

octanon-1-ol
FL/FR

viridiflorol
FL/FR

iso

amyl 3-(2-furan) propionate
FL/FR

benzyl acetoacetate
FL/FR

acidic

acidic

(E)-2-

hexenoic acid
FL

alliaceous

tropical thiazole
FL/FR

citrus

petitgrain lemon oil
FL/FR

ethereal

methyl hexyl ether
FL/FR

floral

citronellyl acetate
FL/FR

dimethyl benzyl carbinyl acetate
FL/FR

dimethyl benzyl carbinyl butyrate
FL/FR

geranyl tiglate
FL/FR

jasmin absolute egypt (from concrete)
FL/FR

alpha-iso

methyl ionone (90% min.)
FL/FR

tropical ionone
FL/FR

fruity

iso

amyl propionate
FL/FR

benzyl acetate
FL/FR

benzyl acetone
FL/FR

benzyl formate
FL/FR

boronia absolute
FL/FR

buchu mercaptan acetate
FL/FR

butyl heptanoate
FL/FR

fusel oil
FL/FR

2-

2-

hexyl-4-acetoxytetrahydrofuran
FL

linalyl octanoate
FL/FR

1-para-

menthen-9-yl acetate
FL/FR

methoxymelonal
FL/FR

2-

methyl butyl isovalerate
FL/FR

phenethyl isovalerate
FL/FR

star fruit oil cuba
FL/FR

tagete oil CO2 extract
FL/FR

tagete oil south africa
FL/FR

tagete oil turkey
FL/FR

tagete oil zambia
FL/FR

green

iso

butyl methyl ketone
FL/FR

hexyl tiglate
FL/FR

3-

1-

penten-3-ol
FL/FR

herbal

iso

amyl heptanoate
FL/FR

butyl levulinate
FL/FR

coriander oleoresin
FL/FR

para-

menth-1-ene-9-ol
FL/FR

honey

phenethyl isobutyrate
FL/FR

orris

orris capronate
FL/FR

sour

2-

methyl-2-pentenoic acid
FL/FR

spicy

benzyl cinnamate
FL/FR

sulfurous

tropical 3-thiobutyrate
FL/FR

tropical

alpha-

amyl cinnamaldehyde
FL/FR

3-

mercaptohexyl acetate
FL/FR

vegetable

2-

octen-4-one
FL/FR

waxy

butyl undecylenate
FL/FR

woody

beta-

ionone
FL/FR

(1S,5R)-

myrtenyl acetate
FL/FR

Potential Uses:

FR	fruit
FR	herbal
FR	mint

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

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
iso	piperitenon
(-)-iso	piperitenone
6-iso	propenyl-3-methyl-2-cyclohexen-1-one
6-iso	propenyl-3-methylcyclohex-2-en-1-one

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.

Notes:

None found

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