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2-hexanol, 5-methyl-

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CAS Number: 627-59-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:211-004-9
FDA UNII: Search
Nikkaji Web:J95.495K
Beilstein Number:1731619
XlogP3-AA:2.00 (est)
Molecular Weight:116.20372000
Formula:C7 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
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.81900 @ 25.00 °C.
Refractive Index:1.41700 @ 20.00 °C.
Boiling Point: 150.00 to 152.00 °C. @ 760.00 mm Hg
Vapor Pressure:1.282000 mmHg @ 25.00 °C. (est)
Flash Point: 86.00 °F. TCC ( 30.00 °C. )
logP (o/w): 2.055 (est)
Soluble in:
 water, 4900 mg/L @ 25 °C (exp)
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
(±)-5-Methyl-2-hexanol 98%
For experimental / research use only.
Safety Information:
Preferred SDS: View
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
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:
natural substances and extractives
Recommendation for (±)-5-methyl-2-hexanol usage levels up to:
 not for fragrance use.
Recommendation for (±)-5-methyl-2-hexanol 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 :12323
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12323
Pubchem (sid):134978706
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2905.19.9090
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 ginger root oil china @ 0.10%
Data GC Search Trop Picture
 hexan-2-ol, 5-methyl-
2-hexanol, 5-methyl-
5-methyl hexan-2-ol
 methyl isopentyl carbinol
isopentyl methyl carbinol


PubMed:Effect of compression on the relationship between viscosity and dielectric relaxation time in hydrogen-bonded primary alcohols.
PubMed:Syntheses of enantiopure aliphatic secondary alcohols and acetates by bioresolution with lipase B from Candida antarctica.
PubMed:Effect of high hydrostatic pressure on the dielectric relaxation in a non-crystallizable monohydroxy alcohol in its supercooled liquid and glassy states.
PubMed:Debye process and dielectric state of an alcohol in a nonpolar solvent.
PubMed:Specific heat relaxation of an alcohol and implications for dielectric comparison.
PubMed:Structure-dependent dc conductivity and relaxation time in the Debye-Stokes-Einstein equation.
PubMed:Relaxations and nano-phase-separation in ultraviscous heptanol-alkyl halide mixture.
PubMed:Dynamics of glass-forming liquids. VIII. Dielectric signature of probe rotation and bulk dynamics in branched alkanes.
None found
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