CAS No.96-66-2,4,4'-Thiobis(2-methyl-6-tert-butylphenol) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	96-66-2
Name:	4,4'-Thiobis(2-methyl-6-tert-butylphenol)
Article Data:	49

Formula:	C₂₂H₃₀O₂S
Molecular Weight:	358.545
Synonyms:	o-Cresol,4,4'-thiobis[6-tert-butyl- (7CI,8CI);2,2'-Di-tert-Butyl-6,6'-dimethyl-4,4'-thiodiphenol;4,4'-Thiobis(2-tert-butyl-6-methylphenol);4,4'-Thiobis(6-tert-butyl-2-methylphenol);4,4'-Thiobis(6-tert-butyl-o-cresol);Antioxidant E 736;4,4'-Thiobis(6-tert-butyl-o-cresol);Ethyl Antioxidant 736;NSC 58409;TB 2;
EINECS:	202-522-6
Density:	1.119 g/cm³
Melting Point:	127 °C
Boiling Point:	488 °C at 760 mmHg
Flash Point:	236.635 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	65.76000
LogP:	6.46080

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The 4,4'-Thiobis(2-methyl-6-tert-butylphenol), with the CAS registry number 96-66-2, is also known as 4,4'-Thiobis(6-tert-butyl-o-cresol). It belongs to the product category of Organics. Its EINECS number is 202-522-6. This chemical's molecular formula is C₂₂H₃₀O₂S and molecular weight is 358.54. What's more, its systematic name is 4,4'-Sulfanediylbis[2-methyl-6-(2-methyl-2-propanyl)phenol].

Physical properties of 4,4'-Thiobis(2-methyl-6-tert-butylphenol) are: (1)ACD/LogP: 7.719; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.72; (4)ACD/LogD (pH 7.4): 7.72; (5)ACD/BCF (pH 5.5): 432725.80; (6)ACD/BCF (pH 7.4): 432618.00; (7)ACD/KOC (pH 5.5): 376680.40; (8)ACD/KOC (pH 7.4): 376586.50; (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^-24cm³; (17)Surface Tension: 48.72 dyne/cm; (18)Density: 1.119 g/cm³; (19)Flash Point: 236.635 °C; (20)Enthalpy of Vaporization: 78.27 kJ/mol; (21)Boiling Point: 488 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1cc(c(O)c(c1)C)C(C)(C)C)c2cc(c(O)c(c2)C(C)(C)C)C
(2)Std. InChI: InChI=1S/C22H30O2S/c1-13-9-15(11-17(19(13)23)21(3,4)5)25-16-10-14(2)20(24)18(12-16)22(6,7)8/h9-12,23-24H,1-8H3
(3)Std. InChIKey: YFHKLSPMRRWLKI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mammal (species unspecified)	LD50	oral	6340mg/kg (6340mg/kg)	Rubber Chemistry and Technology. Vol. 45, Pg. 627, 1972.
mouse	LD50	oral	3gm/kg (3000mg/kg)	"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1007, 1986.
rat	LD50	oral	6340mg/kg (6340mg/kg)	International Polymer Science and Technology. Vol. 3, Pg. 93, 1976.