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Details

Stereochemistry ACHIRAL
Molecular Formula C7H16
Molecular Weight 100.2019
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLHEXANE

SMILES

CCCCC(C)C

InChI

InChIKey=GXDHCNNESPLIKD-UHFFFAOYSA-N
InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C7H16
Molecular Weight 100.2019
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
A three year study on 14 VOCs at one site in Rome: levels, seasonal variations, indoor/outdoor ratio and temporal trends.
2010-10
Biodegradation of the major color containing compounds in distillery wastewater by an aerobic bacterial culture and characterization of their metabolites.
2010-09
Decomposition and isomerization of 5-methylhex-1-yl radical.
2010-08-05
Benchmark thermochemistry of the C(n)H(2n+2) alkane isomers (n = 2-8) and performance of DFT and composite ab initio methods for dispersion-driven isomeric equilibria.
2009-07-23
Rate constants of nine C6-C9 alkanes with OH from 230 to 379 K: chemical tracers for [OH].
2009-04-30
Study of the thermal diffusion behavior of alkane/benzene mixtures by thermal diffusion forced rayleigh scattering experiments and lattice model calculations.
2006-12-28
[Allelopathy and chemical constituents of Ligularia virgaurea volatile].
2005-10
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:17:29 GMT 2025
Edited
by admin
on Mon Mar 31 19:17:29 GMT 2025
Record UNII
YI4679P2SP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLHEXANE
Systematic Name English
NSC-24840
Preferred Name English
ISOHEPTANE
Common Name English
HEXANE, 2-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID5052256
Created by admin on Mon Mar 31 19:17:29 GMT 2025 , Edited by admin on Mon Mar 31 19:17:29 GMT 2025
PRIMARY
ECHA (EC/EINECS)
209-730-6
Created by admin on Mon Mar 31 19:17:29 GMT 2025 , Edited by admin on Mon Mar 31 19:17:29 GMT 2025
PRIMARY
PUBCHEM
11582
Created by admin on Mon Mar 31 19:17:29 GMT 2025 , Edited by admin on Mon Mar 31 19:17:29 GMT 2025
PRIMARY
CAS
591-76-4
Created by admin on Mon Mar 31 19:17:29 GMT 2025 , Edited by admin on Mon Mar 31 19:17:29 GMT 2025
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NSC
24840
Created by admin on Mon Mar 31 19:17:29 GMT 2025 , Edited by admin on Mon Mar 31 19:17:29 GMT 2025
PRIMARY
WIKIPEDIA
2-Methylhexane
Created by admin on Mon Mar 31 19:17:29 GMT 2025 , Edited by admin on Mon Mar 31 19:17:29 GMT 2025
PRIMARY
FDA UNII
YI4679P2SP
Created by admin on Mon Mar 31 19:17:29 GMT 2025 , Edited by admin on Mon Mar 31 19:17:29 GMT 2025
PRIMARY