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2,3,5-Trimethylhexane

2,3,5-Trimethylhexane structure

CAS No:
1069-53-0
Formula:
C9H20
Chemical Name:
2,3,5-Trimethylhexane
Synonyms:
Hexane,2,3,5-trimethyl-;2,3,5-Trimethylhexane
Categories:
Specialty Chemicals

Description

2,3,5-trimethylhexane is an alkane that is hexane substituted by a methyl group at positions 2,3 and 5. It has a role as a human metabolite. It is an alkane and a volatile organic compound. It derives from a hydride of a hexane.

2,3,5-Trimethylhexane Basic Attributes

Molecular Weight：

128.259

Exact Mass：

128.26

EC Number：

213-957-6

HScode：

2901100000

Characteristics

PSA：

XLogP3：

4.99

Density：

0.7258 g/cm³ @ Temp: 20 °C

Melting Point：

-127.9 °C

Boiling Point：

131.4 °C

Flash Point：

24.4±11.7 °C

Refractive Index：

1.4037

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

1993

2,3,5-Trimethylhexane Use and Manufacturing

2,3, 5-trimethylhexane is commonly used in the production of fuels and solvents, especially in improving the octane number of fuels. It improves combustion efficiency and reduces vehicle emissions. In addition, it is also used as an organic solvent and is widely used as a dissolving agent in chemical experiments.

Computed Properties

Molecular Weight:128.25
XLogP3:4.2
Rotatable Bond Count:3
Exact Mass:128.156500638
Monoisotopic Mass:128.156500638
Heavy Atom Count:9
Complexity:62.4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes