Cyclohexanol,4-(1,1-dimethylethyl)-,1-acetate,cis- supplier

Name
cis-4-tert-butylcyclohexyl acetate
EINECS 233-881-7
CAS No. 10411-92-4
Article Data14
CAS DataBase
Density 0.93 g/cm³
Solubility 4.16mg/L at 25℃
Melting Point
Formula C₁₂H₂₂O₂
Boiling Point 222.2 °C at 760 mmHg
Molecular Weight 198.305
Flash Point 90.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexanol,4-(1,1-dimethylethyl)-, acetate, cis- (9CI);Cyclohexanol, 4-tert-butyl-,acetate, cis- (8CI);PTBCA 25-cis;cis-1-Acetoxy-4-tert-butylcyclohexane;cis-4-tert-Butyl-1-acetoxycyclohexane;cis-4-tert-Butylcyclohexyl acetate;cis-p-tert-Butylcyclohexyl acetate;cyclohexanol, 4-(1,1-dimethylethyl)-,acetate, cis-;
PSA 26.30000
LogP 3.15440

Cyclohexanol,4-(1,1-dimethylethyl)-,1-acetate,cis- Specification

The CAS registry number of Cyclohexanol,4-(1,1-dimethylethyl)-,1-acetate,cis- is 10411-92-4. The IUPAC name is cis-4-tert-butylcyclohexyl acetate. Its EINECS registry number is 233-881-7. In addition, the molecular formula is C₁₂H₂₂O₂ and the molecular weight is 198.30.

Physical properties about Cyclohexanol,4-(1,1-dimethylethyl)-,1-acetate,cis- are: (1)ACD/LogP: 3.96 ; (2)ACD/LogD (pH 5.5): 3.96; (3)ACD/LogD (pH 7.4): 3.96; (4)ACD/BCF (pH 5.5): 598.75; (5)ACD/BCF (pH 7.4): 598.75; (6)ACD/KOC (pH 5.5): 3384.98; (7)ACD/KOC (pH 7.4): 3384.98; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.45; (12)Molar Refractivity: 57.38 cm³; (13)Molar Volume: 213.1 cm³; (14)Polarizability: 22.74 ×10^-24cm³; (15)Surface Tension: 30 dyne/cm; (16)Density: 0.93 g/cm³; (17)Flash Point: 90.8 °C; (18)Enthalpy of Vaporization: 45.87 kJ/mol; (19)Boiling Point: 222.2 °C at 760 mmHg; (20)Vapour Pressure: 0.103 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)O[C@H]1CC[C@H](CC1)C(C)(C)C
(2)InChI: InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+
(3)InChIKey: MBZRJSQZCBXRGK-PHIMTYICBT

Product Name

cis-4-tert-butylcyclohexyl acetate

Cyclohexanol,4-(1,1-dimethylethyl)-,1-acetate,cis- Specification

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