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2,2-Dimethylhexane

2,2-Dimethylhexane structure

CAS No:
590-73-8
Formula:
C8H18
Chemical Name:
2,2-Dimethylhexane
Synonyms:
Hexane,2,2-dimethyl-;2,2-Dimethylhexane;NSC 174065
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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2,2-Dimethylhexane Basic Attributes

Molecular Weight：

114.23

Exact Mass：

114.23

EC Number：

209-689-4

UNII：

G1EH35W01H

NSC Number：

174065

DSSTox ID：

DTXSID9073200

Characteristics

PSA：

XLogP3：

4.64

Density：

0.6967 g/cm³ @ Temp: 20 °C

Melting Point：

-121.1 °C

Boiling Point：

106.8 °C

Flash Point：

26 °F

Refractive Index：

1.402

Water Solubility：

0.2mg/L(temperature not stated)

Vapor Pressure：

1.22 psi ( 37.7 °C)

OH：

4.83e-12 cm3/molecule*sec

Safety Information

Packing level：

Hazard category：

3.1

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, 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 (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 44 companies from 4 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：

4.00 Days

2,2-Dimethylhexane Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:114.23
XLogP3:4.1
Rotatable Bond Count:3
Exact Mass:114.140850574
Monoisotopic Mass:114.140850574
Heavy Atom Count:8
Complexity:47.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes