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Cyclohexanol,4,4'-(1-methylethylidene)bis- (80-04-6)

Identification
Name:Cyclohexanol,4,4'-(1-methylethylidene)bis-
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;
CAS:80-04-6
EINECS: 201-244-2
Molecular Formula: C15H28O2
Molecular Weight: 240.38162
InChI: InChI=1S/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
Molecular Structure: (C15H28O2) Cyclohexanol,4,4'-isopropylidenedi- (6CI,7CI,8CI);1,1'-Isopropylidenebis[4-cyclohexanol];2,2-Bis(4-h...
Properties
Density:1.048 g/cm3
Refractive index:1.523
Water Solubility:Insoluble in water, soluble in benzene, acetone
Solubility:Insoluble in water, soluble in benzene, acetone
Appearance:White flakes
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..

Safety Data
Hazard Symbols Xi:Irritant
 

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