Chemical Properties of Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-6-methyl- (CAS 96-66-2)

Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-6-methyl-

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
InChI Key
YFHKLSPMRRWLKI-UHFFFAOYSA-N
Formula
C22H30O2S
SMILES
Cc1cc(Sc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
Molecular Weight1
358.54
CAS
96-66-2
Other Names
  • o-Cresol, 4,4'-thiobis[6-tert-butyl-
  • Antioxidant E 736
  • Antioxidant 736
  • E 736
  • Ethyl Antioxidant 736
  • Ethyl 736
  • Thioalkofen BM
  • Tioalkofen BM
  • TB 2
  • 3-tert-Butyl-4-hydroxy-5-methylphenyl sulfide
  • 4,4'-Thiobis(6-tert-butyl-o-cresol)
  • o-Cresol, 4,4'-thiobis(6-t-butyl-
  • Ethanox 736
  • 4,4'-Thiobis(2-tert-butyl-6-methylphenol)
  • NSC 58409
  • 6,6'-di-tert-butyl-4,4'-thiodi-o-cresol
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Physical Properties

Property Value Unit Source
ω 0.8330 Relay (1.0) Calculated Property
ΔfG° 50.22 kJ/mol Joback Calculated Property
ΔfH°gas -370.64 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 40.13 kJ/mol Joback Calculated Property
ΔvapH° 133.65 kJ/mol Relay (1.0) Calculated Property
IE 7.49 eV Relay (1.0) Calculated Property
log10WS -6.89 Relay (1.0) Calculated Property
logPoct/wat 6.461 Crippen Calculated Property
McVol 301.410 ml/mol McGowan Calculated Property
Pc 1772.85 kPa Joback Calculated Property
Tboil 645.67 K Relay (1.0) Calculated Property
Tc 953.43 K Relay (1.0) Calculated Property
Tfus 413.50 K Relay (1.0) Calculated Property
Vc 1.082 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [979.30; 1101.03] J/mol×K [999.60; 1258.08] Show Hide
Cp,gas 979.30 J/mol×K 999.60 Joback Calculated Property
Cp,gas 998.24 J/mol×K 1042.68 Joback Calculated Property
Cp,gas 1017.35 J/mol×K 1085.76 Joback Calculated Property
Cp,gas 1036.90 J/mol×K 1128.84 Joback Calculated Property
Cp,gas 1057.17 J/mol×K 1171.92 Joback Calculated Property
Cp,gas 1078.46 J/mol×K 1215.00 Joback Calculated Property
Cp,gas 1101.03 J/mol×K 1258.08 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 589.20 K 5.30 NIST

Similar Compounds

Santonox. Phenol, 2-(1,1-dimethylethyl)-6-methyl-. Phenol, 4,6-di(1,1-dimethylethyl)-2-methyl-. 6-tert-Butyl-2,4-dimethylphenol. probucol. Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-. Febutol. Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-methyl-. 4,4'-Methylenebis(6-tert-butyl-o-cresol). 2-tert-Butyl-4-methyl-6-(a-methylbenzyl)phenol. Phenol, 2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl-. 2,2'-Ethylidenebis(4,6-di-tert-butylphenol). 2-Allyl-6-t-butylphenol. P-cresol, 2,2'-methylene bis(6-(1,1,3,3-tetramethylbutyl))-. 2-(1,1-Dimethylethyl)-6-(1-methylethyl)phenol.

Find more compounds similar to Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-6-methyl-.

Sources

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