EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes

2-heptanol, 6-methyl-

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CAS Number: 4730-22-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:225-232-1
FDA UNII: Search
Nikkaji Web:J110.659G
XlogP3:2.60 (est)
Molecular Weight:130.23066000
Formula:C8 H18 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: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.81600 to 0.82000 @ 20.00 °C.
Pounds per Gallon - (est).: 6.798 to 6.831
Refractive Index:1.42200 to 1.42600 @ 20.00 °C.
Boiling Point: 173.00 to 175.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.342000 mmHg @ 25.00 °C. (est)
Flash Point: 153.00 °F. TCC ( 67.00 °C. )
logP (o/w): 2.565 (est)
Soluble in:
 water, 1594 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Flavor Type: waxy
waxy fatty citrus
Taste Description: waxy fatty citrus
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Frinton Laboratories
For experimental / research use only.
iso-Hexyl methyl carbinol
Santa Cruz Biotechnology
For experimental / research use only.
Sigma-Aldrich: Aldrich
For experimental / research use only.
6-Methyl-2-heptanol 99%
For experimental / research use only.
6-Methyl-2-heptanol >97.0%(GC)
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 6-methyl-2-heptanol usage levels up to:
 not for fragrance use.
Recommendation for 6-methyl-2-heptanol 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 :96476
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
RTECS:MJ4650000 for cas# 4730-22-7
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4730-22-7
Pubchem (cid):96476
Pubchem (sid):135054804
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:2905.16.0050
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 beef fat heated
Search PMC Picture
 heptan-2-ol, 6-methyl-
2-heptanol, 6-methyl-
isohexyl methyl carbinol
iso-hexyl methyl carbinol
None found
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