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4,4'-Isopropylidenedicyclohexanol

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Name

4,4'-Isopropylidenedicyclohexanol

EINECS 201-244-2
CAS No. 80-04-6 Density 1.048 g/cm3
PSA 40.46000 LogP 3.11480
Solubility Insoluble in water, soluble in benzene, acetone Melting Point 187 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
Formula C15H28O2 Boiling Point 341.2 °C at 760 mmHg
Molecular Weight 240.386 Flash Point 151.7 °C
Transport Information N/A Appearance White flakes
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 80-04-6 (4,4'-Isopropylidenedicyclohexanol) Hazard Symbols IrritantXi
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;

Article Data 14

4,4'-Isopropylidenedicyclohexanol 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..

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