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2,5-Dimethylhexane

2,5-Dimethylhexane structure

CAS No:
592-13-2
Formula:
C8H18
Chemical Name:
2,5-Dimethylhexane
Synonyms:
Hexane,2,5-dimethyl-;2,5-Dimethylhexane;Biisobutyl;NSC 74172;1,1,4,4-Tetramethylbutane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless liquid

2,5-Dimethylhexane Basic Attributes

Molecular Weight：

114.232

Exact Mass：

114.23

EC Number：

209-745-8

UNII：

PCS13D63P8

NSC Number：

74172

DSSTox ID：

DTXSID4073201

Characteristics

PSA：

XLogP3：

4.64

Density：

0.6989 g/cm³ @ Temp: 15 °C

Melting Point：

-91 °C

Boiling Point：

109.1 °C

Flash Point：

26.7±0.0 °C

Refractive Index：

1.399

Vapor Pressure：

1.1 psi ( 37.7 °C)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3295 3/PG 2

wgk germany：

hazard class code：

R10;R38;R50/53;R65

safety instructions：

S9-S16-S29-S33-S60-S61-S62

Marks：

Xn:Harmful;N:Dangerousfortheenvironment;

Precautionary statement(s)：

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

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (91.53%): 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 59 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

Drug Information

Biological Half-Life：

25.00 Days

MeSH Entry Terms：

2,5-dimethylhexane

Computed Properties

Molecular Weight:114.23
XLogP3:4
Rotatable Bond Count:3
Exact Mass:114.140850574
Monoisotopic Mass:114.140850574
Heavy Atom Count:8
Complexity:36
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes