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1,4-Dimethylcyclohexane

1,4-Dimethylcyclohexane structure

CAS No:
589-90-2
Formula:
C8H16
Chemical Name:
1,4-Dimethylcyclohexane
Synonyms:
Cyclohexane,1,4-dimethyl-;1,4-Dimethylcyclohexane;p-Dimethylcyclohexane;NSC 44845
Categories:
Chemical Reagents > Organic Reagents

Description

clear colorless liquid

1,4-dimethylcyclohexane is a cycloalkane that is cyclohexane substituted by a methyl group at positions 1 and 4. It has a role as a human metabolite and a plant metabolite. It derives from a hydride of a cyclohexane.

1,4-Dimethylcyclohexane Basic Attributes

Molecular Weight：

112.21

Exact Mass：

112.21

EC Number：

209-663-2

UNII：

417GE5869Y|8NUV3O4B1R

NSC Number：

74162|74160|44845

DSSTox ID：

DTXSID5075284

Characteristics

PSA：

XLogP3：

4.37

Density：

0.7861 g/cm³ @ Temp: 0 °C

Melting Point：

-87 °C

Boiling Point：

120 °C

Flash Point：

60 °F

Refractive Index：

1.420

Water Solubility：

3.84mg/L(25 ºC)

Vapor Pressure：

17.88 mmHg

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

UN 2263 3/PG 2

wgk germany：

hazard class code：

11-38-51/53-65-67

safety instructions：

9-16-33-61-62

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: 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|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 68 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,4-Dimethylcyclohexane Use and Manufacturing

Uses

Dialkylcyclohexane is used as a solvent. Dimethyl- and diethylcyclohexane are used in catalytic reforming to produce C8 aromatic compounds.

Use Classification：

Fatty Acyls [FA] -> Hydrocarbons [FA11]

Computed Properties

Molecular Weight:112.21
XLogP3:3.8
Exact Mass:112.125200510
Monoisotopic Mass:112.125200510
Heavy Atom Count:8
Complexity:48.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes