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Sigma-Aldrich

2,5-Dimethylhexane

99%

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Synonym(s):
Diisobutyl
Linear Formula:
(CH3)2CHCH2CH2CH(CH3)2
CAS Number:
592-13-2
Molecular Weight:
114.23
Beilstein:
1696877
EC Number:
209-745-8
MDL number:
MFCD00008951
UNSPSC Code:
12352100
PubChem Substance ID:
24846995
NACRES:
NA.22

vapor pressure

1.1 psi ( 37.7 °C)

Quality Level

100

Assay

99%

refractive index

n20/D 1.392 (lit.)

bp

108 °C (lit.)

density

0.694 g/mL at 25 °C (lit.)

SMILES string

CC(C)CCC(C)C

InChI

1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3

InChI key

UWNADWZGEHDQAB-UHFFFAOYSA-N

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Application

2,5-Dimethylhexane has been used to study excess entropy scaling relationships for analyzing its kinetic properties using molecular simulation.

Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Central nervous system

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Ravi Chopra et al.
The journal of physical chemistry. B, 114(49), 16487-16493 (2010-11-26)
We use molecular simulation to study the ability of excess entropy scaling relationships to describe the kinetic properties of four hydrocarbon isomers: n-octane, 2,2-dimethylhexane, 2,5-dimethylhexane, and 3-methyl-3-ethylpentane. Four dynamic properties are considered: translational and rotational diffusivities, a characteristic relaxation time
Barbara Nozière et al.
Angewandte Chemie (International ed. in English), 58(39), 13976-13982 (2019-07-31)
The autoxidation of organic peroxy radicals (RO2 ) into hydroperoxy-alkyl radicals (QOOH), then hydroperoxy-peroxy radicals (HOOQO2 ) is now considered to be important in the Earth's atmosphere. To avoid mechanistic uncertainties these reactions are best studied by monitoring the radicals.
Michael A Wheeler et al.
Cell, 176(3), 581-596 (2019-01-22)
Genome-wide studies have identified genetic variants linked to neurologic diseases. Environmental factors also play important roles, but no methods are available for their comprehensive investigation. We developed an approach that combines genomic data, screens in a novel zebrafish model, computational

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