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4,4'-Bicyclohexanol

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4,4'-Bicyclohexanol

EINECS 243-908-4
CAS No. 20601-38-1 Density 1.098 g/cm3
PSA 40.46000 LogP 2.08860
Solubility N/A Melting Point 184-188 °C
Formula C12H22O2 Boiling Point 324.173 °C at 760 mmHg
Molecular Weight 198.305 Flash Point 151.532 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 20601-38-1 (4,4'-BICYCLOHEXANOL) Hazard Symbols IrritantXi
Synonyms

[Bicyclohexyl]-4,4'-diol(6CI,8CI);4,4'-Bicyclohexanediol;4,4'-Dihydroxybicyclohexyl;4,4'-Dihydroxydicyclohexane;Bis(4-hydroxycyclohexyl);

Article Data 13

4,4'-Bicyclohexanol Specification

The 4,4'-Bicyclohexanol with CAS registry number of 20601-38-1 is also known as Bicyclohexylacetophenone. The systematic name is 1,1'-Bi(cyclohexyl)-4,4'-diol. Its EINECS registry number is 243-908-4. In addition, the formula is C12H22O2 and the molecular weight is 198.30.

Physical properties about 4,4'-Bicyclohexanol are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.93; (6)ACD/BCF (pH 7.4): 14.93; (7)ACD/KOC (pH 5.5): 241; (8)ACD/KOC (pH 7.4): 241; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 56.56 cm3; (15)Molar Volume: 180.5 cm3; (16)Polarizability: 22.42×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.098 g/cm3; (19)Flash Point: 151.5 °C; (20)Enthalpy of Vaporization: 65.62 kJ/mol; (21)Boiling Point: 324.2 °C at 760 mmHg; (22)Vapour Pressure: 1.95E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: OC2CCC(C1CCC(O)CC1)CC2
2. InChI: InChI=1/C12H22O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-14H,1-8H2
3. InChIKey: MZXNOAWIRQFYDB-UHFFFAOYAS

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