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| CAS No.: | 80-04-6 |
|---|---|
| Name: | 4,4'-Isopropylidenedicyclohexanol |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C15H28O2 |
| Molecular Weight: | 240.386 |
| Synonyms: | Cyclohexanol,4,4'-isopropylidenedi- (6CI,7CI,8CI);1,1'-Isopropylidenebis[4-cyclohexanol];2,2-Bis(4-hydroxycyclohexyl)propane;Dodecahydrobisphenol A;HBPA;Hydrobisphenol A;Hydrogenated bisphenol A;NSC8990;NSC 8991;NSC 8992;Perhydrobisphenol A;Rikabinol HB; |
| EINECS: | 201-244-2 |
| Density: | 1.048 g/cm3 |
| Melting Point: | 187 °C(Solv: benzene (71-43-2); ethanol (64-17-5)) |
| Boiling Point: | 341.2 °C at 760 mmHg |
| Flash Point: | 151.7 °C |
| Solubility: | Insoluble in water, soluble in benzene, acetone |
| Appearance: | White flakes |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36 |
| Safety: | 26 |
| PSA: | 40.46000 |
| LogP: | 3.11480 |
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Specification
The IUPAC name of 2,2-Bis(4-hydroxycyclohexyl)propane is 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol . With the CAS registry number 80-04-6, it is also named as 1,1'-Isopropylidenebis(4-cyclohexanol) ; 4,4'-Isopropylidenedicyclohexanol ; AI3-25180 ; Dodecahydrobisphenol A ; HBPA ; Hydrogenated bisphenol A ; NSC 8990 ; Cyclohexanol, 4,4'-(1-methylethylidene)bis- . The product's categories are medical intermediates, alcohols, monomers and polymer science.
The 2,2-Bis(4-hydroxycyclohexyl)propane is white flakes which is insoluble in water, and soluble in benzene and acetone . It has properties of thermal stability, light stability and chemical stability that can be used in the manufacture of epoxy resin, unsaturated polyester resin, polycarbonate resin, acrylic resin, etc. This product is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.08 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 3.08 ; (4)ACD/LogD (pH 7.4): 3.08 ; (5)ACD/BCF (pH 5.5): 128.1 ; (6)ACD/BCF (pH 7.4): 128.1 ; (7)ACD/KOC (pH 5.5): 1122.51 ; (8)ACD/KOC (pH 7.4): 1122.51 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 4 ; (12)Index of Refraction: 1.523 ; (13)Molar Refractivity: 70.08 cm3 ; (14)Molar Volume: 229.1 cm3 ; (15)Polarizability: 27.78×10-24 cm3 ; (16)Surface Tension: 45.1 dyne/cm ; (17)Enthalpy of Vaporization: 67.75 kJ/mol ; (18)Vapour Pressure: 5.36E-06 mmHg at 25°C ; (19)Rotatable Bond Count: 2 ; (20)Exact Mass: 240.20893 ; (21)MonoIsotopic Mass: 240.20893 ; (22)Topological Polar Surface Area: 40.5 ; (23)Heavy Atom Count: 17.
People can use the following data to convert to the molecule structure. SMILES: OC2CCC(C(C1CCC(O)CC1)(C)C)CC2; InChI: InChI=1/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3. 2,2-Bis(4-hydroxycyclohexyl)propane has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd..