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neoisomenthol
cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-

Supplier Sponsors

CAS Number:	491-02-1	3D/inchi
Other(deleted CASRN):	3623-53-8
ECHA EINECS - REACH Pre-Reg:	207-724-8
FDA UNII:	1JE64OEH7Y
Nikkaji Web:	J2.129F
MDL:	MFCD01941448
XlogP3-AA:	3.00 (est)
Molecular Weight:	156.26860000
Formula:	C10 H20 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:	215.38 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.032000 mmHg @ 25.00 °C. (est)
Flash Point:	200.00 °F. TCC ( 93.30 °C. ) (est)
logP (o/w):	3.216 (est)
Soluble in:
	water, 434.5 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor Type: mentholic

mentholic

Odor Description:at 10.00 % in dipropylene glycol. mentholic

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

Cosmetic Information:

None found

Suppliers:

Carbosynth

For experimental / research use only.

neoisoMenthol

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 :1254

National Institute of Allergy and Infectious Diseases:Data

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

Chemidplus:0000491021

References:

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

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):	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%

Potential Blenders and core components note

For Odor

fruity

menthyl isovalerate
FL/FR

herbal

hedeoma pulegioides herb extract america
FR

mentholic

cornmint oil
FL/FR

cornmint oil china
FL/FR

cornmint oil india
FL/FR

cornmint oil terpeneless
FL/FR

(±)-

menthol
FL/FR

dextro,laevo-neo

menthol
FL/FR

dextro-neo

menthol
FL/FR

laevo-

menthol
FL/FR

dextro,laevo-

menthol
FL/FR

(+)-

menthone
FL/FR

(±)-iso

menthone
FL/FR

laevo-

menthyl acetate
FL/FR

menthyl acetate racemic
FL/FR

peppermint cyclohexanone
FL/FR

dextro-

piperitone
FL/FR

minty

cornmint oil japan
FL/FR

cornmint oil terpenes
FR

mentha piperita extract
FL/FR

mentha piperita flower/leaf/stem extract
FL/FR

mentha piperita flower/leaf/stem water
FR

mentha piperita herb extract america
FR

mentha piperita leaf water
FR

mentha piperita tincture
FL/FR

mentha pulegium extract
FR

mentha pulegium herb extract
FR

mentha pulegium herb tincture
FR

(-)-

menthone
FL/FR

(±)-

menthone
FL/FR

methyl cyclohexanone
FL/FR

pennyroyal herb oil america
FL/FR

pennyroyal oil
FL/FR

pennyroyal oil cuba
FL/FR

pennyroyal oil fractions
FL/FR

pennyroyal oil spain
FL/FR

pennyroyal oil terpenes
FL/FR

pennyroyal oil uruguay
FL/FR

peppermint absolute
FL/FR

peppermint distillates
FL/FR

peppermint fragrance
FR

peppermint leaf
CS

peppermint oil
FL/FR

peppermint oil america
FL/FR

peppermint oil brazil
FL/FR

peppermint oil china
FL/FR

peppermint oil CO2 extract
FL/FR

peppermint oil dementholized
FL/FR

peppermint oil england
FL/FR

peppermint oil france
FL/FR

peppermint oil hungary
FL/FR

peppermint oil idaho
FL/FR

peppermint oil india
FL/FR

peppermint oil mongolia
FL/FR

peppermint oil montana
FL/FR

peppermint oil morocco
FL/FR

peppermint oil russia
FL/FR

peppermint oil special fractions
FL/FR

peppermint oil tasmania
FL/FR

peppermint oil terpeneless
FL/FR

peppermint oil terpenes
FR

peppermint oil willamette
FL/FR

peppermint oil yakima
FL/FR

peppermint water
FL/FR

laevo-

piperitone
FL/FR

iso

pulegone
FL/FR

(R)-(+)-

pulegone
FR

For Flavor

No flavor group found for these

dextro,laevo-neo

menthol
FL/FR

menthyl acetate racemic
FL/FR

methyl cyclohexanone
FL/FR

iso

pulegone
FL/FR

cooling

iso

menthol
FL

laevo-

menthol
FL/FR

dextro,laevo-

menthol
FL/FR

menthyl acetate
FL/FR

peppermint oil america
FL/FR

fruity

menthyl isovalerate
FL/FR

mentholic

cornmint oil
FL/FR

cornmint oil terpeneless
FL/FR

dextro-neo

menthol
FL/FR

(±)-

menthol
FL/FR

(+)-

menthone
FL/FR

peppermint cyclohexanone
FL/FR

minty

cornmint oil china
FL/FR

cornmint oil india
FL/FR

cornmint oil japan
FL/FR

mentha piperita extract
FL/FR

mentha piperita flower/leaf/stem extract
FL/FR

mentha piperita tincture
FL/FR

(-)-

menthone
FL/FR

(±)-

menthone
FL/FR

(±)-iso

menthone
FL/FR

laevo-

menthyl acetate
FL/FR

pennyroyal herb oil america
FL/FR

pennyroyal oil
FL/FR

pennyroyal oil cuba
FL/FR

pennyroyal oil fractions
FL/FR

pennyroyal oil spain
FL/FR

pennyroyal oil terpenes
FL/FR

pennyroyal oil uruguay
FL/FR

peppermint absolute
FL/FR

peppermint distillates
FL/FR

peppermint oil
FL/FR

peppermint oil brazil
FL/FR

peppermint oil china
FL/FR

peppermint oil CO2 extract
FL/FR

peppermint oil dementholized
FL/FR

peppermint oil england
FL/FR

peppermint oil france
FL/FR

peppermint oil hungary
FL/FR

peppermint oil idaho
FL/FR

peppermint oil india
FL/FR

peppermint oil mongolia
FL/FR

peppermint oil montana
FL/FR

peppermint oil morocco
FL/FR

peppermint oil russia
FL/FR

peppermint oil special fractions
FL/FR

peppermint oil tasmania
FL/FR

peppermint oil terpeneless
FL/FR

peppermint oil willamette
FL/FR

peppermint oil yakima
FL/FR

peppermint water
FL/FR

laevo-

piperitone
FL/FR

dextro-

piperitone
FL/FR

Potential Uses:

None Found

Occurrence (nature, food, other):note

	cornmint oil Search Trop Picture
	pennyroyal oil @ trace% Data GC Search Trop Picture
	pennyroyal oil cuba @ 20.68% Data GC Search Trop Picture
	peppermint oil mongolia @ 0.39% Data GC Search Trop Picture

Synonyms:

	cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-
(±)-neoiso	menthol
5-	methyl-2-propan-2-ylcyclohexan-1-ol

Articles:

PubMed:Monoterpene metabolism. Cloning, expression, and characterization of menthone reductases from peppermint.

PubMed:Metabolism of Monoterpenes: Conversion of l-Menthone to l-Menthol and d-Neomenthol by Stereospecific Dehydrogenases from Peppermint (Mentha piperita) Leaves.

Notes:

Found in many essential oils [CCD]

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neoisomenthol cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-

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Articles:

neoisomenthol
cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-