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

2-methyl hexane
hexane, 2-methyl-

Supplier Sponsors

Name:2-methylhexane
CAS Number: 591-76-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-730-6
FDA UNII: YI4679P2SP
Nikkaji Web:J43.564C
Beilstein Number:1696856
MDL:MFCD00009487
XlogP3-AA:3.70 (est)
Molecular Weight:100.20452000
Formula:C7 H16
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
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Google Patents:Search
US Patents:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
FDA Mainterm (IAUFC):591-76-4 ; 2-METHYLHEXANE
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.67800 to 0.68200 @ 20.00 °C.
Pounds per Gallon - (est).: 5.648 to 5.682
Refractive Index:1.38300 to 1.38600 @ 20.00 °C.
Boiling Point: 90.00 °C. @ 760.00 mm Hg
Vapor Pressure:66.000000 mmHg @ 25.00 °C.
Flash Point: 25.00 °F. TCC ( -3.89 °C. )
logP (o/w): 4.118 (est)
Soluble in:
 alcohol
 water, 2.54 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Frinton Laboratories
For experimental / research use only.
2-Methylhexane
Santa Cruz Biotechnology
For experimental / research use only.
2-Methylhexane
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Methylhexane 99%
sds
TCI AMERICA
For experimental / research use only.
2-Methylhexane >99.0%(GC)
sds
 
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
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LCLo 19500 ppm/4H
BEHAVIORAL: TREMOR GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0534860
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 2-methyl hexane usage levels up to:
 not for fragrance use.
 
Recommendation for 2-methyl hexane flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):591-76-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11582
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-methylhexane
Chemidplus:0000591764
RTECS:591-76-4
 
References:
 2-methylhexane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:591-76-4
Pubchem (cid):11582
Pubchem (sid):134977463
Pherobase:View
 
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
FDA Indirect Additives used in Food Contact Substances:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2901.10.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 coffee
Search PMC Picture
 michelia champaca flower absolute @ 1.02%
Data GC Search Trop Picture
 
Synonyms:
 ethylisobutylmethane
isoheptane
 hexane, 2-methyl-
2-methylhexane
 

Articles:

PubMed:Biodegradation of C7 and C8 iso-alkanes under methanogenic conditions.
PubMed:Thermochemistry of C7H16 to C10H22 alkane isomers: primary, secondary, and tertiary C-H bond dissociation energies and effects of branching.
PubMed:New apocarotenoids and β-carotene cleavage in Blakeslea trispora.
PubMed:Biodegradation of the major color containing compounds in distillery wastewater by an aerobic bacterial culture and characterization of their metabolites.
PubMed:Rate constants of nine C6-C9 alkanes with OH from 230 to 379 K: chemical tracers for [OH].
PubMed:Study of the thermal diffusion behavior of alkane/benzene mixtures by thermal diffusion forced rayleigh scattering experiments and lattice model calculations.
PubMed:Gas chromatographic determination for forensic purposes of petroleum fuel inhaled just before fatal burning.
PubMed:Iso-alkane oxidation by a Pseudomonas. I. Metabolism of 2-methylhexane.
 
Notes:
None found
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