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Basic Information
CAS No.: 14362-12-0
Name: 2,2'-methylenebis[4,6-di-tert-butylphenol]
Article Data: 47
Molecular Structure:
Molecular Structure of 14362-12-0 (2,2'-methylenebis[4,6-di-tert-butylphenol])
Formula: C29H44O2
Molecular Weight: 424.667
Synonyms: Bis(2-hydroxy-3,5-di-tert-butylphenyl)methane;Bis(3,5-di-tert-butyl-2-hydroxyphenyl)methane;Di-(3,5-di-tert-butyl-2-hydroxyphenyl)methane;Phenol,2,2'-methylenebis[4,6-di-tert-butyl- (6CI,7CI,8CI);2,2'-Methylenebis(4,6-tert-butylphenol);2,2'-Methylenebis[4,6-bis(1,1-dimethylethyl)phenol;2,2'-Methylenebis[4,6-di-tert-butylphenol];
EINECS: 238-334-6
Density: 0.981 g/cm3
Melting Point: 151-152℃
Boiling Point: 466.9 °C at 760mmHg
Flash Point: 182.1 °C
PSA: 40.46000
LogP: 7.87860
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Specification

The CAS registry number of Phenol,2,2'-methylenebis[4,6-bis(1,1-dimethylethyl)- is 14362-12-0. The IUPAC name is 2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol. Its EINECS registry number is 238-334-6. In addition, the molecular formula is C29H44O2 and the molecular weight is 424.66.

Physical properties about 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 ×10-24cm3; (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)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