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110582

Sigma-Aldrich

2,5-Dimethylhexane

99%

Synonym(s):

Diisobutyl

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About This Item

Linear Formula:
(CH3)2CHCH2CH2CH(CH3)2
CAS Number:
592-13-2
Molecular Weight:
114.23
Beilstein/REAXYS Number:
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)

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.

signalword

Danger

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

Storage Class

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

78.8 °F - closed cup

flash_point_c

26 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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