Cyclohexanol,2-(1,1-dimethylethoxy)- supplier

Name
2-tert-butyloxycyclohexan-1-ol
EINECS 221-034-4
CAS No. 2979-31-9
Article Data33
CAS DataBase
Density 0.95 g/cm³
Solubility
Melting Point
Formula C₁₀H₂₀O₂
Boiling Point 221.8 °C at 760 mmHg
Molecular Weight 172.268
Flash Point 73 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexanol,2-tert-butoxy- (7CI,8CI);2-t-Butoxycyclohexanol;2-tert.-Butoxycyclohexanol;
PSA 29.46000
LogP 2.10500

Cyclohexanol,2-(1,1-dimethylethoxy)- Specification

The Cyclohexanol,2-(1,1-dimethylethoxy)-, with the CAS registry number 2979-31-9, is also known as Cyclohexanol,2-tert-butoxy- (7CI,8CI) and 2-t-Butoxycyclohexanol. Its EINECS registry number is 221-034-4. This chemical's molecular formula is C₁₀H₂₀O₂ and molecular weight is 172.2646. What's more, its IUPAC name is 2-[(2-Methylpropan-2-yl)oxy]cyclohexan-1-ol.

Physical properties about Cyclohexanol,2-(1,1-dimethylethoxy)- are: (1) ACD/LogP: 1.75; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.75; (4) ACD/LogD (pH 7.4): 1.75; (5) ACD/BCF (pH 5.5): 12.61; (6) ACD/BCF (pH 7.4): 12.61; (7) ACD/KOC (pH 5.5): 213.51; (8) ACD/KOC (pH 7.4): 213.51; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 18.46 Å²; (13) Index of Refraction: 1.46; (14) Molar Refractivity: 49.53 cm³; (15) Molar Volume: 180.7 cm³; (16) Polarizability: 19.63×10^-24cm³; (17) Surface Tension: 32.1 dyne/cm; (18) Density: 0.95 g/cm³; (19) Flash Point: 73 °C; (20) Enthalpy of Vaporization: 53.28 kJ/mol; (21) Boiling Point: 221.8 °C at 760 mmHg; (22) Vapour Pressure: 0.0216 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(C(C)(C)C)C1CCCCC1O
(2) InChI: InChI=1/C10H20O2/c1-10(2,3)12-9-7-5-4-6-8(9)11/h8-9,11H,4-7H2,1-3H3
(3) InChIKey: ZJLNOFGIRHSFLR-UHFFFAOYAB

Product Name

2-tert-butyloxycyclohexan-1-ol

Cyclohexanol,2-(1,1-dimethylethoxy)- Specification

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