neoisomenthol
cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-
 
Notes:
Found in many essential oils [CCD]
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CAS Number: 491-02-1Picture of molecule3D/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:
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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)
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Organoleptic Properties:
 
Odor Type: mentholic
 
 mentholic  
Odor Description:
at 10.00 % in dipropylene glycol. 
mentholic
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Carbosynth
For experimental / research use only.
neoisoMenthol
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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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
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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
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References:
 5-methyl-2-propan-2-ylcyclohexan-1-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 1254
Pubchem (sid): 135059303
Flavornet: 491-02-1
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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%
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Potential Blenders and core components note
 
For Odor
fruity
 menthyl isovalerateFL/FR
herbal
 hedeoma pulegioides herb extract americaFR
mentholic
 cornmint oilFL/FR
 cornmint oil chinaFL/FR
 cornmint oil indiaFL/FR
 cornmint oil terpenelessFL/FR
laevo-mentholFL/FR
(±)-mentholFL/FR
dextro-neomentholFL/FR
dextro,laevo-mentholFL/FR
dextro,laevo-neomentholFL/FR
(±)-isomenthoneFL/FR
(+)-menthoneFL/FR
 menthyl acetateFL/FR
laevo-menthyl acetateFL/FR
 menthyl acetate racemicFL/FR
 peppermint cyclohexanoneFL/FR
dextro-piperitoneFL/FR
minty
 cornmint oil japanFL/FR
 cornmint oil terpenesFR
 mentha piperita extractFL/FR
 mentha piperita flower/leaf/stem extractFL/FR
 mentha piperita flower/leaf/stem waterFR
 mentha piperita herb extract americaFR
 mentha piperita leaf waterFR
 mentha piperita tinctureFL/FR
 mentha pulegium extractFR
 mentha pulegium herb extractFR
 mentha pulegium herb tinctureFR
(-)-menthoneFL/FR
(±)-menthoneFL/FR
2-methyl cyclohexanoneFL/FR
 pennyroyal herb oil americaFL/FR
 pennyroyal oilFL/FR
 pennyroyal oil cubaFL/FR
 pennyroyal oil fractionsFL/FR
 pennyroyal oil spainFL/FR
 pennyroyal oil terpenesFL/FR
 pennyroyal oil uruguayFL/FR
 peppermint absoluteFL/FR
 peppermint distillatesFL/FR
 peppermint fragranceFR
 peppermint leafCS
 peppermint oilFL/FR
 peppermint oil americaFL/FR
 peppermint oil brazilFL/FR
 peppermint oil chinaFL/FR
 peppermint oil CO2 extractFL/FR
 peppermint oil dementholizedFL/FR
 peppermint oil englandFL/FR
 peppermint oil franceFL/FR
 peppermint oil hungaryFL/FR
 peppermint oil idahoFL/FR
 peppermint oil indiaFL/FR
 peppermint oil mongoliaFL/FR
 peppermint oil montanaFL/FR
 peppermint oil moroccoFL/FR
 peppermint oil russiaFL/FR
 peppermint oil special fractionsFL/FR
 peppermint oil tasmaniaFL/FR
 peppermint oil terpenelessFL/FR
 peppermint oil terpenesFR
 peppermint oil willametteFL/FR
 peppermint oil yakimaFL/FR
 peppermint waterFL/FR
laevo-piperitoneFL/FR
(R)-(+)-pulegoneFR
isopulegoneFL/FR
 
For Flavor
 
No flavor group found for these
dextro,laevo-neomentholFL/FR
 menthyl acetate racemicFL/FR
2-methyl cyclohexanoneFL/FR
isopulegoneFL/FR
cooling
laevo-mentholFL/FR
dextro,laevo-mentholFL/FR
isomentholFL
 menthyl acetateFL/FR
 peppermint oil americaFL/FR
fruity
 menthyl isovalerateFL/FR
mentholic
 cornmint oilFL/FR
 cornmint oil terpenelessFL/FR
(±)-mentholFL/FR
dextro-neomentholFL/FR
(+)-menthoneFL/FR
 peppermint cyclohexanoneFL/FR
minty
 cornmint oil chinaFL/FR
 cornmint oil indiaFL/FR
 cornmint oil japanFL/FR
 mentha piperita extractFL/FR
 mentha piperita flower/leaf/stem extractFL/FR
 mentha piperita tinctureFL/FR
(-)-menthoneFL/FR
(±)-isomenthoneFL/FR
(±)-menthoneFL/FR
laevo-menthyl acetateFL/FR
 pennyroyal herb oil americaFL/FR
 pennyroyal oilFL/FR
 pennyroyal oil cubaFL/FR
 pennyroyal oil fractionsFL/FR
 pennyroyal oil spainFL/FR
 pennyroyal oil terpenesFL/FR
 pennyroyal oil uruguayFL/FR
 peppermint absoluteFL/FR
 peppermint distillatesFL/FR
 peppermint oilFL/FR
 peppermint oil brazilFL/FR
 peppermint oil chinaFL/FR
 peppermint oil CO2 extractFL/FR
 peppermint oil dementholizedFL/FR
 peppermint oil englandFL/FR
 peppermint oil franceFL/FR
 peppermint oil hungaryFL/FR
 peppermint oil idahoFL/FR
 peppermint oil indiaFL/FR
 peppermint oil mongoliaFL/FR
 peppermint oil montanaFL/FR
 peppermint oil moroccoFL/FR
 peppermint oil russiaFL/FR
 peppermint oil special fractionsFL/FR
 peppermint oil tasmaniaFL/FR
 peppermint oil terpenelessFL/FR
 peppermint oil willametteFL/FR
 peppermint oil yakimaFL/FR
 peppermint waterFL/FR
laevo-piperitoneFL/FR
dextro-piperitoneFL/FR
 
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Potential Uses:
None Found
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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
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Synonyms:
 cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-
(±)-neoisomenthol
5-methyl-2-propan-2-ylcyclohexan-1-ol
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