CAS No.77-62-3,BIS[2-HYDROXY-5-METHYL-3-(1-METHYLCYCLOHEXYL)PHENYL]METHANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77-62-3
Name:	BIS[2-HYDROXY-5-METHYL-3-(1-METHYLCYCLOHEXYL)PHENYL]METHANE
Article Data:	21

Formula:	C₂₉H₄₀O₂
Molecular Weight:	420.635
Synonyms:	p-Cresol,2,2'-methylenebis[6-(1-methylcyclohexyl)- (6CI,7CI,8CI);2,2-Methylenebis[4-methyl-6-[a-methylcyclohexyl)phenol];2,2'-Dihydroxy-5,5'-dimethyl-3,3'-bis(a-methylcyclohexyl)diphenylmethane;2,2'-Methylenebis[4-methyl-6-(a-methylcyclohexyl)phenol];Bis[2-hydroxy-3-(a-methylcyclohexyl)-5-methylphenyl]methane;
EINECS:	201-044-5
Density:	1.058g/cm3
Melting Point:	135 °C
Boiling Point:	526.9 °C at 760 mmHg
Flash Point:	219.2 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	40.46000
LogP:	7.74900

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Specification

The CAS registry number of 2,2'-Methylenebis[6-(1-methylcyclohexyl)-p-cresol] is 77-62-3. The IUPAC name is 2,2'-methanediylbis[4-methyl-6-(1-methylcyclohexyl)phenol]. Its EINECS registry number is 201-044-5. In addition, the molecular formula is C₂₉H₄₀O₂ and the molecular weight is 420.63. It belongs to the classes of Organics.

Physical properties about 2,2'-Methylenebis[6-(1-methylcyclohexyl)-p-cresol] are: (1)ACD/LogP: 9.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.78; (4)ACD/LogD (pH 7.4): 9.77; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4953253; (8)ACD/KOC (pH 7.4): 4944445; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 129.93 cm³; (15)Molar Volume: 397.4 cm³; (16)Polarizability: 51.5×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.058 g/cm³; (19)Flash Point: 219.2 °C; (20)Enthalpy of Vaporization: 83.15 kJ/mol; (21)Boiling Point: 526.9 °C at 760 mmHg; (22)Vapour Pressure: 1.02E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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: Oc1c(cc(cc1Cc2c(O)c(cc(c2)C)C3(C)CCCCC3)C)C4(C)CCCCC4
(2)InChI: InChI=1/C29H40O2/c1-20-15-22(26(30)24(17-20)28(3)11-7-5-8-12-28)19-23-16-21(2)18-25(27(23)31)29(4)13-9-6-10-14-29/h15-18,30-31H,5-14,19H2,1-4H3
(3)InChIKey: PHXLONCQBNATSL-UHFFFAOYAU