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2,4-Dimethylpentane

2,4-Dimethylpentane structure

CAS No:
108-08-7
Formula:
C7H16
Chemical Name:
2,4-Dimethylpentane
Synonyms:
Pentane,2,4-dimethyl-;2,4-Dimethylpentane;NSC 61989
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Colorless liquid with an odor resembling heptane. An odor threshold concentration of 940 ppb.

GasVapor

2,4-Dimethylpentane Basic Attributes

Molecular Weight：

100.2

Exact Mass：

100.20

BRN：

1696855

EC Number：

203-548-0

UNII：

4JT8Q9QOHI

NSC Number：

61989

UN Number：

1206

DSSTox ID：

DTXSID2059358

HScode：

2901100000

Characteristics

PSA：

XLogP3：

4.11

Appearance：

GasVapor

Density：

0.6971 g/cm³ @ Temp: 0 °C

Melting Point：

-119.9 °C

Boiling Point：

80.4 °C

Flash Point：

10 °F

Refractive Index：

n 20/D 1.381(lit.)

Water Solubility：

Soluble in acetone, benzene, chloroform, alcohol and ether.

Vapor Pressure：

3.29 psi ( 37.7 °C)

Vapor Density：

3.48 (vs air)

Explosive limit：

~7%

OH：

5.16e-12 cm3/molecule*sec

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3295 3/PG 2

wgk germany：

hazard class code：

11-38-50/53-65-67

safety instructions：

9-16-29-33-60-61-62

Marks：

F,Xn,N

Precautionary statement(s)：

P210-P261-P273-P301 + P310-P331-P501

Hazard Statements：

H225-H304-H315-H336-H410

Fire Hazards：

Flammable - 3rd degree

GHS Classification：

|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 185 companies from 11 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：

48.00 Days

MeSH Entry Terms：

2,4-dimethylpentane

2,4-Dimethylpentane Use and Manufacturing

Uses

Intermediates

Production

25,000 - 100,000 lb

Manufacturing Info：

Petroleum refineries|Pentane, 2,4-dimethyl-: ACTIVE

Use Classification：

Fire Hazards -> Flammable - 3rd degree

Computed Properties

Molecular Weight:100.20
XLogP3:3.4
Rotatable Bond Count:2
Exact Mass:100.125200510
Monoisotopic Mass:100.125200510
Heavy Atom Count:7
Complexity:29.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes