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4081-14-5

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Basic Information
CAS No.: 4081-14-5
Name: 2,2'-Butylidenebis(6-tert-butyl-p-cresol)
Molecular Structure:
Molecular Structure of 4081-14-5 (2,2'-Butylidenebis(6-tert-butyl-p-cresol))
Formula: C26H38O2
Molecular Weight: 382.587
Synonyms: p-Cresol,2,2'-butylidenebis[6-tert-butyl- (6CI,7CI,8CI);2,2'-Butylidenebis(4-methyl-6-tert-butylphenol);2,2'-Butylidenebis(6-tert-butyl-4-methylphenol);2,2'-Butylidenebis(6-tert-butyl-p-cresol);2,2'-Butylidenebis[6-(1,1-dimethylethyl)-4-methylphenol;6,6-Butylidenebis(2-tert-butyl-4-methylphenol);Sumilizer BBP;2,2'-butane-1,1-diylbis(6-tert-butyl-4-methylphenol);
Density: 1.001 g/cm3
Boiling Point: 457 °C at 760 mmHg
Flash Point: 186.8 °C
PSA: 40.46000
LogP: 7.24160
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Specification

The 2,2'-Butylidenebis(6-tert-butyl-p-cresol), with the cas registry number 4081-14-5, has the systematic name of 2,2'-butane-1,1-diylbis(6-tert-butyl-4-methylphenol). And the molecular formula of the chemical is C26H38O2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 8.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.44; (4)ACD/LogD (pH 7.4): 8.44; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 931229.25; (8)ACD/KOC (pH 7.4): 931129.06; (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: 1.539; (14)Molar Refractivity: 119.65 cm3; (15)Molar Volume: 381.8 cm3; (16)Polarizability: 47.43×10-24cm3; (17)Surface Tension: 36.3 dyne/cm; (18)Density: 1.001 g/cm3; (19)Flash Point: 186.8 °C; (20)Enthalpy of Vaporization: 74.45 kJ/mol; (21)Boiling Point: 457 °C at 760 mmHg; (22)Vapour Pressure: 5.71E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc1c(cc(cc1C(C)(C)C)C)C(c2cc(cc(c2O)C(C)(C)C)C)CCC
(2)InChI: InChI=1/C26H38O2/c1-10-11-18(19-12-16(2)14-21(23(19)27)25(4,5)6)20-13-17(3)15-22(24(20)28)26(7,8)9/h12-15,18,27-28H,10-11H2,1-9H3
(3)InChIKey: WYIHUDNDPCJCJL-UHFFFAOYAJ