trans-dihydrocarvone, 5948-04-9

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Name:	(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CAS Number:	5948-04-9	3D/inchi
FDA UNII:	VTA43H364Z
Nikkaji Web:	J995.644A
XlogP3-AA:	2.70 (est)
Molecular Weight:	152.23672000
Formula:	C10 H16 O
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

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
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	92.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	220.00 to 222.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.107000 mmHg @ 25.00 °C. (est)
Flash Point:	181.00 °F. TCC ( 82.78 °C. )
logP (o/w):	3.225 (est)
Soluble in:
	alcohol
	water, 273.1 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Description:at 100.00 %. warm herbal

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

Cosmetic Information:

None found

Suppliers:

None found

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:
natural substances and extractives
Recommendation for trans-dihydrocarvone usage levels up to:
	not for fragrance use.

Recommendation for trans-dihydrocarvone flavor usage levels up to:
	not for flavor use.

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 :22227

National Institute of Allergy and Infectious Diseases:Data

(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

Chemidplus:0005524050

References:

Leffingwell:	Chirality or Article
	(2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	22227
Pubchem (sid):	135050984
Flavornet:	5948-04-9
Pherobase:	View

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
CHEMBL:	View
KEGG (GenomeNet):	C11398
HMDB (The Human Metabolome Database):	Search
FooDB:	FDB003876
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

	agathosma crenulata oil @ 0.18% Data GC Search Trop Picture
	buchu leaf oil @ 0.12% Data GC Search Trop Picture
	caraway seed Search Trop Picture
	caraway seed oil @ 0.05-0.10% Data GC Search Trop Picture
	celery seed oil Search Trop Picture
	cumin Search Trop Picture
	cymbopogon laniger extract Data GC Search Trop Picture
	dill leaf Search Trop Picture
	dill oil Search Trop Picture
	dill seed Search Trop Picture
	dill weed oil cuba @ 0.99% Data GC Search Trop Picture
	fleabane oil @ trace% Data GC Search Trop Picture
	gingergrass oil @ 0.28% Data GC Search Trop Picture
	horsemint shoot Search Trop Picture
	mangrove bark red oil cuba @ 0.10% Data GC Search Trop Picture
	oregano plant Search Trop Picture
	oregano shoot oil Search Trop Picture
	spearmint oil Search Trop Picture
	spearmint oil america @ 0.12-0.43% Data GC Search Trop Picture
	tansy flower oil canada @ 22.29% Data GC Search Trop Picture
	thymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ 5.00% Data GC Search Trop Picture
	wormseed oil america @ 0.09% Data GC Search Trop Picture

Synonyms:

(2R,5R)-	dihydrocarvone
trans-p-	menth-8-en-2-one
trans-para-	menth-8-en-2-one
trans-2-	methyl-5-(1-methyl ethenyl) cyclohexanone
trans-2-	methyl-5-(1-methylethenyl)cyclohexanone
(2R,5R)-2-	methyl-5-prop-1-en-2-ylcyclohexan-1-one

Articles:

PubMed:Controlling the Regioselectivity of Baeyer-Villiger Monooxygenases by Mutation of Active-Site Residues.

PubMed:Switching the Regioselectivity of a Cyclohexanone Monooxygenase toward (+)-trans-Dihydrocarvone by Rational Protein Design.

PubMed:Total synthesis of (+)-pleuromutilin.

PubMed:Insecticidal and acetylcholine esterase inhibition activity of Apiaceae plant essential oils and their constituents against adults of German cockroach (Blattella germanica).

PubMed:Antibacterial activity of Cuminum cyminum L. and Carum carvi L. essential oils.

PubMed:Odor differences between enantiomeric isomers.

Notes:

None found

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trans-dihydrocarvone trans-2-methyl-5-(1-methylethenyl)cyclohexanone

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Articles:

trans-dihydrocarvone
trans-2-methyl-5-(1-methylethenyl)cyclohexanone