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

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Name

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

EINECS 221-034-4
CAS No. 2979-31-9 Density 0.95 g/cm3
PSA 29.46000 LogP 2.10500
Solubility N/A Melting Point N/A
Formula C10H20O2 Boiling Point 221.8 °C at 760 mmHg
Molecular Weight 172.268 Flash Point 73 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2979-31-9 (Cyclohexanol,2-(1,1-dimethylethoxy)-) Hazard Symbols N/A
Synonyms

Cyclohexanol,2-tert-butoxy- (7CI,8CI);2-t-Butoxycyclohexanol;2-tert.-Butoxycyclohexanol;

Article Data 33

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: 19.63×10-24 cm3; (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

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