neoisomenthol

General Material Information

Preferred name	neoisomenthol
Trivial Name	(±)-Neoisomenthol
Short Description	cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-
Formula	C10 H20 O
CAS Number	491-02-1
Deleted CAS Number	3623-53-8
ECHA Number	207-724-8
FDA UNII	1JE64OEH7Y
Nikkaji Number	J2.129F
MDL	MFCD01941448
xLogP3-AA	3.00 (est)
NMR Predictor	External link
Synonyms	cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)- (±)-neoiso menthol 5-methyl-2-propan-2-ylcyclohexan-1-ol Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-rel- Menthol, cis-1,3,cis-1,4- Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1α,2α,5α)- rel-(1R,2R,5R)-5-Methyl-2-(1-methylethyl)cyclohexanol (±)-Neoisomenthol dl-Neoisomenthol all-cis-2-Isopropyl-5-methylcyclohexanol

	5-methyl-2-propan-2-ylcyclohexan-1-ol
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	1254
Pubchem (sid):	135059303
Flavornet:	491-02-1

Publications by PubMed
Monoterpene metabolism. Cloning, expression, and characterization of menthone reductases from peppermint.
Metabolism of Monoterpenes: Conversion of l-Menthone to l-Menthol and d-Neomenthol by Stereospecific Dehydrogenases from Peppermint (Mentha piperita) Leaves.

(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):	D04849
HMDB (The Human Metabolome Database):	HMDB41628
FooDB:	FDB021834
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Formulations/Preparations: •some synthetic menthols are not chemical individuals but...mixtures of various isomers...these are designated...l-menthol, dl-menthol, l-isomenthol, d-isomenthol, dl-isomenthol, l-neomenthol, d-neomenthol, l-neoisomenthol, d-neoisomenthol and dl-neoisomenthol. •when mixed with about equal wt of camphor, chloral hydrate, phenol, or thymol, menthol forms "eutectic" mixt liquifying @ room temp. •menthol, usp drug marketed under generic name. •grades: technical; usp; fcc •synthetic menthol is available as the optically active levo-menthol with a purity of 99.9%. synthetic menthol is also commercially available as the racemic mixture •present in cigarettes and pipe tobacco (0.1-0.45%) shaving creams, pre- and aftershave lotions (0.2-0.3%); toothpastes (0.5%); mouthwashes (1-2%); chewing gums (0.5%); cough drops (0.1%); refreshing towels (1%); rubbing alcohol (1-1.2%); and shampoos (2-0.5%) •mentholatum deep heating rub contains 5.9% menthol; mentholatum ointment, 1.35%; mentholatum deep heating lotion, 6%

Material listed in food chemical codex	No
Molecular weight	156.26860046387
Vapor Pressure	0.032 mmHg @ 25 °C
Flash Point TCC Value	93.3 °C TCC
logP (o/w)	3.216 est
Solubility
water, 434.5 mg/L @ 25 °C (est)	Yes

Odor Type: Mentholic
mentholic
General comment	At 10.00 % in dipropylene glycol. mentholic


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

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

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :1254

National Institute of Allergy and Infectious Diseases:Data

5-methyl-2-propan-2-ylcyclohexan-1-ol

Chemidplus:0000491021