CAS No.90-66-4,2,2'-Thiobis(6-tert-butyl-p-cresol) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	90-66-4
Name:	2,2'-Thiobis(6-tert-butyl-p-cresol)

Formula:	C₂₂H₃₀O₂S
Molecular Weight:	358.545
Synonyms:	p-Cresol,2,2'-thiobis[6-tert-butyl- (7CI,8CI);2,2'-Dihydroxy-3,3'-di-tert-butyl-5,5'-dimethyldiphenyl sulfide;2,2'-Thiobis(4-methyl-6-tert-butylphenol);2,2'-Thiobis(6-tert-butyl-4-methylphenol);2246S;Advastab 406;Antioxidant 2246S;Bis(2-hydroxy-3-tert-butyl-5-methylphenyl) sulfide;Bis(5-methyl-3-tert-butyl-2-hydroxyphenyl) monosulfide;Bis(5-methyl-3-tert-butyl-2-oxyphenyl) monosulfide;CAO 4;CAO 6;Durad AX 18;Irganox 1081;Irganox 1081FF;Keminox 246T;Lowinox TBP 6;NSC 67488;SAO 6;Thioalkofen BP;Thioalkophene BP;
EINECS:	202-009-7
Density:	1.11 g/cm³
Melting Point:	166-168°C
Boiling Point:	431.064 °C at 760 mmHg
Flash Point:	209.252 °C
Solubility:	8μg/L at 20℃
Risk Codes:	R36/37/38
PSA:	65.76000
LogP:	6.46080

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Specification

The Phenol,2,2'-thiobis[6-(1,1-dimethylethyl)-4-methyl-, with the CAS registry number 90-66-4, is also known as 2,2'-Thiobis(6-tert-butyl-4-methylphenol). It belongs to the product category of Industrial/Fine Chemicals. Its EINECS registry number is 202-009-7. This chemical's molecular formula is C₂₂H₃₀O₂S and molecular weight is 358.54. What's more, its IUPAC name is called 2-tert-Butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol. It should be stored in a cool and well-ventilated place.

Physical properties about Phenol,2,2'-thiobis[6-(1,1-dimethylethyl)-4-methyl- are: (1)ACD/LogP: 6.427; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.43; (4)ACD/LogD (pH 7.4): 6.43; (5)ACD/BCF (pH 5.5): 45108.39; (6)ACD/BCF (pH 7.4): 45052.21; (7)ACD/KOC (pH 5.5): 74661.70; (8)ACD/KOC (pH 7.4): 74568.72; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 65.76 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 108.822 cm³; (15)Molar Volume: 320.353 cm³; (16)Polarizability: 43.14×10^-24 cm³; (17)Surface Tension: 48.72 dyne/cm; (18)Density: 1.119 g/cm³; (19)Flash Point: 209.252 °C; (20)Enthalpy of Vaporization: 71.316 kJ/mol; (21)Boiling Point: 431.064 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Phenol,2,2'-thiobis[6-(1,1-dimethylethyl)-4-methyl-: this chemical can be prepared by 2-tert-butyl-4-methyl-phenol. This reaction needs reagents zinc chloride, sulfur dichloride and solvent light petroleum at ambient temperature. The reaction time is 17 hours. The yield is 65 %.

Phenol,2,2'-thiobis[6-(1,1-dimethylethyl)-4-methyl- can be prepared by 2-tert-butyl-4-methyl-phenol.

Uses of Phenol,2,2'-thiobis[6-(1,1-dimethylethyl)-4-methyl-: (1) it is used as rubber and synthetic polymer materials antioxidants; (2) it is used to produce other chemicals. For example, it can react with dichloro-dimethyl-silane to get 4,8-di-tert-butyl-2,6,6,10-tetramethyl-5,7-dioxa-12-thia-6-sila-dibenzo[a,d]cyclooctene. The reaction occurs with reagent Et₃N and solvent toluene at temperature of 55 °C. The reaction time is 24 hours. The yield is 70 %.

Phenol,2,2'-thiobis[6-(1,1-dimethylethyl)-4-methyl- can react with dichloro-dimethyl-silane to get 4,8-di-tert-butyl-2,6,6,10-tetramethyl-5,7-dioxa-12-thia-6-sila-dibenzo[a,d]cyclooctene.

You can still convert the following datas into molecular structure:
(1) SMILES: S(c1c(O)c(cc(c1)C)C(C)(C)C)c2cc(cc(c2O)C(C)(C)C)C
(2) InChI: InChI=1S/C22H30O2S/c1-13-9-15(21(3,4)5)19(23)17(11-13)25-18-12-14(2)10-16(20(18)24)22(6,7)8/h9-12,23-24H,1-8H3
(3) InChIKey: MQWCQFCZUNBTCM-UHFFFAOYSA-N