2-methyl hexane
hexane, 2-methyl-
Identification
| Name | 2-methyl hexane |
| IUPAC | 2-methylhexane |
| CAS Number | 591-76-4 |
| EINECS | 209-730-6 |
| FDA UNII | YI4679P2SP |
| Molecular Formula | C7 H16 |
| Molecular Weight | 100.20452000 |
| MDL Number | MFCD00009487 |
| Nikkaji Number | J43.564C |
| Beilstein | 1696856 |
Regulatory
| 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 |
| Insoluble in | water |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-rat LCLo 19500 ppm/4H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| 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. |
Potential Uses
Natural Occurrence
Synonyms
ethylisobutylmethane
iso
heptane
hexane, 2-methyl-
2-
methylhexane
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.