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110582

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846995
EC Number:
209-745-8
Beilstein/REAXYS Number:
1696877
MDL number:
MFCD00008951
Assay:
99%
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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

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

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

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Certificates of Analysis (COA)

Lot/Batch Number
06120HE
06723TT
06029LU
02126BA
12604LZ

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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
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Global Trade Item Number

SKUGTIN
110582-5G04061837750205