2,2'-Dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl supplier

Name
2,2'-Dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl
EINECS 407-920-5
CAS No. 6390-69-8
Article Data147
CAS DataBase
Density 0.981 g/cm³
Solubility
Melting Point 194-195℃
Formula C₂₈H₄₂O₂
Boiling Point 469.3 °C at 760 mmHg
Molecular Weight 410.64
Flash Point 186.8 °C
Transport Information
Appearance
Safety 61
Risk Codes 53
Molecular Structure
Hazard Symbols
Synonyms 2,2'-Biphenyldiol,3,3',5,5'-tetra-tert-butyl- (8CI);o,o'-Biphenol, 4,4',6,6'-tetra-tert-butyl-(6CI,7CI);2,2'-Dihydroxy-3,3',5,5'-tetra-tert-butyl-1,1'-biphenyl;3,3',5,5'-Tetra-tert-butyl-2,2'-biphenyldiol;3,3',5,5'-Tetra-tert-butyl-2,2'-bis(phenol);3,3',5,5'-Tetra-tert-butyl-2,2'-dihydroxy-1,1'-biphenyl;3,3',5,5'-Tetra-tert-butyl-2,2'-dihydroxybiphenyl;3,3',5,5'-Tetra-tert-butyl-[1,1'-biphenyl]-2,2'-diol;3,3',5,5'-Tetrakis(1,1-dimethylethyl)-[1,1'-biphenyl]-2,2'-diol;3,3',5,5'-Tetrakis(tert-butyl)biphenyl-2,2'-diol;4,4',6,6'-Tetra-tert-butyl-2,2'-biphenol;NSC 122714;
PSA 40.46000
LogP 7.95480

2,2'-Dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl Specification

The 2, 2'-Dihydroxy-3, 3', 5, 5'-tetra-tert-butylbiphenyl, with the CAS registry number 6390-69-8, is also known as 3, 3', 5, 5'-Tetra-tert-butylbiphenyl-2, 2'-diol. Its EINECS registry number is 407-920-5. This chemical's molecular formula is C₂₈H₄₂O₂ and molecular weight is 410.6319. What's more, its IUPAC name is 2, 4-Ditert-butyl-6-(3, 5-ditert-butyl-2-hydroxyphenyl)phenol. In addition, it may cause long-term adverse effects in the aquatic environment. During using it, you should avoid release it to the environment. And refer to special instructions/safety data sheet.

Physical properties about 2, 2'-Dihydroxy-3, 3', 5, 5'-tetra-tert-butylbiphenyl are: (1)ACD/LogP: 8.66; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.66; (4)ACD/LogD (pH 7.4): 8.66; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1219115.38; (8)ACD/KOC (pH 7.4): 1218585.38; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 128.15 cm³; (15)Molar Volume: 418.3 cm³; (16)Polarizability: 50.8×10^-24 cm³; (17)Surface Tension: 33 dyne/cm; (18)Density: 0.981 g/cm³; (19)Flash Point: 186.8 °C; (20)Enthalpy of Vaporization: 75.96 kJ/mol; (21)Boiling Point: 469.3 °C at 760 mmHg; (22)Vapour Pressure: 1.98E-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)c2cc(cc(c2O)C(C)(C)C)C(C)(C)C
(2) InChI: InChI=1/C28H42O2/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12/h13-16,29-30H,1-12H3
(3) InChIKey: GDGDLBOVIAWEAD-UHFFFAOYAR

Product Name

2,2'-Dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl

2,2'-Dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl Specification

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