Cyclohexane,(1,1-dimethylethyl)- supplier

Name
TERT-BUTYLCYCLOHEXANE
EINECS 221-652-4
CAS No. 3178-22-1
Article Data64
CAS DataBase
Density 0.812 g/cm³
Solubility Insoluble in water
Melting Point -41 °C
Formula C₁₀H₂₀
Boiling Point 168.3 °C at 760 mmHg
Molecular Weight 140.269
Flash Point 42.2 °C
Transport Information UN 3295 3/PG 3
Appearance Clear colourless liquid
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols R10:Flammable.;
Synonyms Cyclohexane,tert-butyl- (6CI,7CI,8CI);(1,1-Dimethylethyl)cyclohexane;NSC 73719;1-tert-Butylcyclohexane;Cyclohexane, tert-butyl-;t-Butylcyclohexane;tert-Butylcyclohexane;
PSA 0.00000
LogP 3.61280

Cyclohexane,(1,1-dimethylethyl)- Specification

The Cyclohexane,(1,1-dimethylethyl)- with CAS registry number of 3178-22-1 is also known as (1,1-Dimethylethyl)cyclohexane. The IUPAC name is tert-Butylcyclohexane. Its EINECS registry number is 221-652-4. In addition, the formula is C₁₀H₂₀ and the molecular weight is 140.27. This chemical is a clear colourless liquid and should be sealed in cool, dry place away from oxides. What's more, it is flammable and should be kept away from sources of ignition.

Physical properties about Cyclohexane,(1,1-dimethylethyl)- are: (1)ACD/LogP: 5.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.11; (4)ACD/LogD (pH 7.4): 5.11; (5)ACD/BCF (pH 5.5): 4472.68; (6)ACD/BCF (pH 7.4): 4472.68; (7)ACD/KOC (pH 5.5): 14278.06; (8)ACD/KOC (pH 7.4): 14278.06; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.443; (11)Molar Refractivity: 45.86 cm³; (12)Molar Volume: 172.7 cm³; (13)Surface Tension: 27.4 dyne/cm; (14)Density: 0.812 g/cm³; (15)Flash Point: 42.2 °C; (16)Enthalpy of Vaporization: 38.82 kJ/mol; (17)Boiling Point: 168.3 °C at 760 mmHg; (18)Vapour Pressure: 2.15 mmHg at 25 °C.

Preparation of Cyclohexane,(1,1-dimethylethyl)-: it is prepared by reaction of 4-tert-butyl-cyclohexene. The reaction needs reagent H₂ and solvent acetic acid over platinum oxide catalyst for 12 hours. The yield is about 67%.

Cyclohexane,(1,1-dimethylethyl)- is prepared by reaction of 4-tert-butyl-cyclohexene.

Uses of Cyclohexane,(1,1-dimethylethyl)-: it is used to produce 1-t-butyl-1-fluorocyclohexane. The reaction occurs with reagent F₂ and solvents CCl₃F, CHCl₃ at the temperature of -75 °C. The yield is about 70%.

Cyclohexane,(1,1-dimethylethyl)- is used to produce 1-t-butyl-1-fluorocyclohexane.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)(C)C1CCCCC1
2. InChI: InChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
3. InChIKey: XTVMZZBLCLWBPM-UHFFFAOYSA-N

Product Name

TERT-BUTYLCYCLOHEXANE

Cyclohexane,(1,1-dimethylethyl)- Specification

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