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Home > Encyclopedia > 2,2,5-Trimethylhexane

2,2,5-Trimethylhexane

2,2,5-Trimethylhexane structure

2,2,5-Trimethylhexane 

structure
  • CAS No:

    3522-94-9

  • Formula:

    C9H20

  • Chemical Name:

    2,2,5-Trimethylhexane

  • Synonyms:

    Hexane,2,2,5-trimethyl-;2,2,5-Trimethylhexane;NSC 65657

Description

Colorless liquid.

2,2,5-Trimethylhexane Basic Attributes

128.259

128.26

222-537-1

AGW1Z6985E

65657

DTXSID0073326

2901100000

Characteristics

0

5.65

0.7082 g/cm3 @ Temp: 20 °C

-105.7 °C

124 °C

31°C c.c.

1.407

Solubility in water, g/100ml at 25°C: 0.00002 (very poor)

Vapour pressure, kPa at 25°C: 0.59

Relative vapour density (air = 1): 4.4

vol% in air: 0.7.6

Safety Information

III

3

3295

R11:Highly Flammable.

S16-S26

MO4630000

Fireproof. Separated from strong oxidants. Store in an area without drain or sewer access.

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, P501

H225

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 47 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

18.00 Days

2,2,5-Trimethylhexane Use and Manufacturing

2,2, 5-trimethylhexane is used for scientific research and can be used to synthesize or make a motor vehicle fuel additive, or 3, 5-dimethylheptane.

Computed Properties

Molecular Weight:128.25
XLogP3:4.4
Rotatable Bond Count:3
Exact Mass:128.156500638
Monoisotopic Mass:128.156500638
Heavy Atom Count:9
Complexity:64.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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