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