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tert-Butylcyclohexane

tert-Butylcyclohexane structure

CAS No:
3178-22-1
Formula:
C10H20
Chemical Name:
tert-Butylcyclohexane
Synonyms:
Cyclohexane,(1,1-dimethylethyl)-;Cyclohexane,tert-butyl-;(1,1-Dimethylethyl)cyclohexane;tert-Butylcyclohexane;NSC 73719;4-tert-Butylcyclohexane
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Clear colourless liquid

tert-Butylcyclohexane Basic Attributes

Molecular Weight：

140.27

Exact Mass：

140.27

EC Number：

221-652-4

UNII：

0RGT19UCQ6

NSC Number：

73719

DSSTox ID：

DTXSID80185642

HScode：

2902199090

Characteristics

PSA：

XLogP3：

3.61280

Appearance：

Clear colourless liquid

Density：

0.8305 g/cm³ @ Temp: 16 °C

Melting Point：

-41.2 °C

Boiling Point：

171.5 °C

Flash Point：

108 °F

Refractive Index：

n20/D 1.447(lit.)

Water Solubility：

Insoluble in water.

Storage Conditions：

Flammables area

Vapor Pressure：

5 mm Hg ( 37.7 °C)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3295 3/PG 3

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

GU9384375

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

RIDADR：

UN 3295 3/PG 3

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 45 companies from 3 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

t-butylcyclohexane

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Capillary	OV-101	1014.1	150.	isothermal	Column length: 20. m; Column diameter: 0.5 mm	Cha, K.-W.Lee, D.-J.Prediction of retention indices of various compounds in gas-liquid chromatographyJ. Korean Chem. Soc.1994, 38, 2, 108-120, retrieved from http://journal.kcsnet.or.kr/publi/dh/dh94n2/108.pdf.
Kovats' RI, non-polar column, isothermal	Capillary	OV-101	1027.1	180.	isothermal	Column length: 20. m; Column diameter: 0.5 mm	Cha, K.-W.Lee, D.-J.Prediction of retention indices of various compounds in gas-liquid chromatographyJ. Korean Chem. Soc.1994, 38, 2, 108-120, retrieved from http://journal.kcsnet.or.kr/publi/dh/dh94n2/108.pdf.
Kovats' RI, non-polar column, isothermal	Packed	SE-30	1003.	120.	isothermal	Column length: 2. m	Pascal, J.C.Heintz, M.Druilhe, A.Lefort, D.Relations entre structure chimique et grandeurs de rétention. III. Stéréoisomères cyclohexaniquesChromatographia1974, 7, 5, 236-245.
Kovats' RI, non-polar column, isothermal	Packed	SE-30	1012.	140.	isothermal	Column length: 2. m	Pascal, J.C.Heintz, M.Druilhe, A.Lefort, D.Relations entre structure chimique et grandeurs de rétention. III. Stéréoisomères cyclohexaniquesChromatographia1974, 7, 5, 236-245.
Kovats' RI, non-polar column, isothermal	Packed	SE-30	1021.	160.	isothermal	Column length: 2. m	Pascal, J.C.Heintz, M.Druilhe, A.Lefort, D.Relations entre structure chimique et grandeurs de rétention. III. Stéréoisomères cyclohexaniquesChromatographia1974, 7, 5, 236-245.

Computed Properties

Molecular Weight:140.27
XLogP3:4.7
Rotatable Bond Count:1
Exact Mass:140.156500638
Monoisotopic Mass:140.156500638
Heavy Atom Count:10
Complexity:91.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

253185-03-4

109275-16-3

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TERT-BUTYLCYCLOHEXANE 3178-22-1

CAS No.: 3178-22-1

Grade: Industrial Grade

Content: 99%

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