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1,3-Dimethylcyclohexane

1,3-Dimethylcyclohexane structure

CAS No:
591-21-9
Formula:
C8H16
Chemical Name:
1,3-Dimethylcyclohexane
Synonyms:
Cyclohexane,1,3-dimethyl-;1,3-Dimethylcyclohexane;m-Dimethylcyclohexane
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless liquid

1,3-Dimethylcyclohexane Basic Attributes

Molecular Weight：

112.21

Exact Mass：

112.21

BRN：

1900339

EC Number：

209-707-0

DSSTox ID：

DTXSID10858731

Characteristics

PSA：

XLogP3：

4.37

Density：

0.7707 g/cm³ @ Temp: 20.75 °C

Melting Point：

126 °C @ Solvent: Methanol

Boiling Point：

122.5 °C

Flash Point：

49 °F

Refractive Index：

1.420

Storage Conditions：

Flammables area

Vapor Pressure：

20.11 mmHg

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2263 3/PG 2

wgk germany：

hazard class code：

11-36/37/38

safety instructions：

16-26-36/37/39

Marks：

F,Xi

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (92.16%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 51 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,3-Dimethylcyclohexane Use and Manufacturing

Used as a solvent

Computed Properties

Molecular Weight:112.21
XLogP3:3.8
Exact Mass:112.125200510
Monoisotopic Mass:112.125200510
Heavy Atom Count:8
Complexity:58.4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes