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1,2-Dimethylcyclohexane

1,2-Dimethylcyclohexane structure

CAS No:
583-57-3
Formula:
C8H16
Chemical Name:
1,2-Dimethylcyclohexane
Synonyms:
Cyclohexane,1,2-dimethyl-;1,2-Dimethylcyclohexane;o-Dimethylcyclohexane;NSC 43769
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

clear colourless liquid

1,2-Dimethylcyclohexane Basic Attributes

Molecular Weight：

112.21

Exact Mass：

112.21

BRN：

1900320

EC Number：

209-509-4

UNII：

5D8M6YR6O1

NSC Number：

43769

DSSTox ID：

DTXSID50858730

HScode：

29021900

Characteristics

PSA：

XLogP3：

4.37

Appearance：

clear liquid

Density：

0.8234 g/cm³ @ Temp: 20 °C

Melting Point：

-71.62°C (estimate)

Boiling Point：

124 °C

Flash Point：

60 °F

Refractive Index：

1.420

Water Solubility：

6.795mg/L(30 ºC)

Storage Conditions：

Flammables area

Vapor Pressure：

15.96 mmHg

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2263 3/PG 2

wgk germany：

hazard class code：

11-65

safety instructions：

9-16-33-62

Marks：

F,Xn

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P271, P280, P301+P310, P303+P361+P353, P304+P340, P312, P331, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H224

GHS Classification：

|Danger|H225 (92.16%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P280, P301+P310, P303+P361+P353, P304+P340, P312, P331, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 51 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|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

Drug Information

Biological Half-Life：

18.00 Days

MeSH Entry Terms：

1,2-dimethylcyclohexane

1,2-Dimethylcyclohexane Use and Manufacturing

Manufacturing Info：

Cyclohexane, 1,2-dimethyl-, (1R,2R)-rel-: ACTIVE

Computed Properties

Molecular Weight:112.21
XLogP3:3.8
Exact Mass:112.125200510
Monoisotopic Mass:112.125200510
Heavy Atom Count:8
Complexity:56.4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes