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Phenol,4,4'-methylenebis[2-methyl- (2467-25-6)

Identification
Name:Phenol,4,4'-methylenebis[2-methyl-
Synonyms:o-Cresol,4,4'-methylenedi- (6CI,7CI,8CI); 4,4'-Dihydroxy-3,3'-dimethyldiphenylmethane;4,4'-Methylenebis(2-methylphenol); 4,4'-Methylenebis(6-methylphenol)
CAS:2467-25-6
Molecular Formula: C15H16 O2
Molecular Weight: 228.29
InChI: InChI=1/C15H16O2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8,16-17H,9H2,1-2H3
Molecular Structure: (C15H16O2) o-Cresol,4,4'-methylenedi- (6CI,7CI,8CI); 4,4'-Dihydroxy-3,3'-dimethyldiphenylmethane;4,4'-Methylene...
Properties
Melting Point: 133 °C
Flash Point: 192.4°C
Boiling Point: 400.8°C at 760 mmHg
Density:1.151g/cm3
Refractive index:1.612
Specification:

The systematic name of 4,4'-Dihydroxy-3,3'-dimethyldiphenylmethane is 4,4'-methanediylbis(2-methylphenol). With the CAS registry number 2467-25-6, it is also named as phenol, 4,4'-methylenebis-2-methyl-. The product's categories are Color Former; Related Compounds; Developer; Diphenylmethanes (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 352.73; (6)ACD/BCF (pH 7.4): 351.96; (7)ACD/KOC (pH 5.5): 2317.7; (8)ACD/KOC (pH 7.4): 2312.68; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 68.98 cm3; (14)Molar Volume: 198.2 cm3; (15)Polarizability: 27.34×10-24 cm3; (16)Surface Tension: 48.6 dyne/cm; (17)Enthalpy of Vaporization: 67.71 kJ/mol; (18)Vapour Pressure: 5.37E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Oc1ccc(cc1C)Cc2ccc(O)c(c2)C
2. InChI:InChI=1/C15H16O2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8,16-17H,9H2,1-2H3
3. InChIKey:MIFGCULLADMRTF-UHFFFAOYAY

Flash Point: 192.4°C
Safety Data