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Phenol, 2,2-methylenebis(4,6-bis(1,1-dimethylethyl)-

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Name

Phenol, 2,2-methylenebis(4,6-bis(1,1-dimethylethyl)-

EINECS N/A
CAS No. 38486-51-0 Density 0.981 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C29H44O2 Boiling Point 466.9 °C at 760 mmHg
Molecular Weight 424.66 Flash Point 182.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 38486-51-0 (Phenol, 2,2-methylenebis(4,6-bis(1,1-dimethylethyl)-) Hazard Symbols N/A
Synonyms

2-[(2-hydroxy-3,5-ditert-butyl-phenyl)methyl]-4,6-ditert-butyl-phenol;14362-12-0;2,2-Methylenebis(4,6-di-tert-butylphenol);2,2'-methylenebis[4,6-di-tert-butylphenol];2,4-bis(tert-butyl)-6-{[3,5-bis(tert-butyl)-2-hydroxyphenyl]methyl}phenol;Phenol, 2,2'-methylenebis[4,6-bis(1,1-dimethylethyl)-;

Article Data 47

Phenol, 2,2-methylenebis(4,6-bis(1,1-dimethylethyl)- Specification

The Phenol, 2,2-methylenebis(4,6-bis(1,1-dimethylethyl)-, with the CAS registry number 38486-51-0, is also known as 2,2'-methylenebis[4,6-di-tert-butylphenol]. This chemical's molecular formula is C29H44O2 and molecular weight is 424.66. What's more, its systematic name is 2,2'-methanediylbis(4,6-di-tert-butylphenol).

Physical properties of Phenol, 2,2-methylenebis(4,6-bis(1,1-dimethylethyl)- are: (1)ACD/LogP: 9.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.49; (4)ACD/LogD (pH 7.4): 9.49; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3453815; (8)ACD/KOC (pH 7.4): 3453326; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 132.87 cm3; (15)Molar Volume: 432.4 cm3; (16)Polarizability: 52.67×10-24 cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 0.981 g/cm3; (19)Flash Point: 182.1 °C; (20)Enthalpy of Vaporization: 75.67 kJ/mol; (21)Boiling Point: 466.9 °C at 760 mmHg; (22)Vapour Pressure: 2.44E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)Cc2cc(cc(c2O)C(C)(C)C)C(C)(C)C
(2)InChI: InChI=1/C29H44O2/c1-26(2,3)20-14-18(24(30)22(16-20)28(7,8)9)13-19-15-21(27(4,5)6)17-23(25(19)31)29(10,11)12/h14-17,30-31H,13H2,1-12H3
(3)InChIKey: LXWZXEJDKYWBOW-UHFFFAOYAQ

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