Basic information
- Name:
[1,1'-Bicyclohexyl]-4,4'-diol
- Superlist Name:
- 4,4'-Bicyclohexanol
- CAS No.:
20601-38-1
- Molecular Structure:
![Molecular Structure of 20601-38-1 ([1,1'-Bicyclohexyl]-4,4'-diol)](http://www.lookchem.com/300w/2010/0619/20601-38-1.jpg)
- Formula:
- C12H22O2
- Molecular Weight:
- 198.30
- Synonyms:
- [Bicyclohexyl]-4,4'-diol(6CI,8CI);4,4'-Bicyclohexanediol;4,4'-Dihydroxybicyclohexyl;4,4'-Dihydroxydicyclohexane;Bis(4-hydroxycyclohexyl);
- EINECS:
- 243-908-4
- Density:
- 1.098 g/cm3
- Melting Point:
- 184-188 °C
- Boiling Point:
- 324.173 °C at 760 mmHg
- Flash Point:
- 151.532 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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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
