Chemical Properties of Santonox (CAS 96-69-5)

InChI

InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3

InChI Key

HXIQYSLFEXIOAV-UHFFFAOYSA-N

Formula

C22H30O2S

SMILES

Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C

Molecular Weight¹

358.54

CAS

96-69-5

Other Names

• Phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methyl-
• m-Cresol, 4,4'-thiobis[6-tert-butyl-
• Disperse MB-61
• Santonox BM
• Santowhite crystals
• Santox
• Sumilizer WX
• Thioalkofen BM 4
• Thioalkofen BMCh
• Thioalkofen MBCh
• Thioalkophene BM-4
• Yoshinox SR
• 3-tert-Butyl-4-hydroxy-6-methylphenyl sulfide
• 4,4'-Thiobis(2-tert-butyl-5-methylphenol)
• Bis(3-tert-butyl-4-hydroxy-6-methylphenyl) sulfide
• Bis(4-hydroxy-5-tert-butyl-2-methylphenyl) sulfide
• Sumilizer WX-R
• USAF B-15
• 1,1'-Thiobis(2-methyl-4-hydroxy-5-tert-butylbenzene)
• 4,4'-Thiobis(3-methyl-6-tert-butylphenol)
• 4,4'-Thiobis(6-tert-butyl-m-cresol)
• 4,4'-Thiobis(6-tert-butyl-3-methylphenol)
• Santonox R
• Yoshinox S
• 5-t-Butyl-4-hydroxy-2-methylphenyl sulfide
• 4,4'-Thio-bis (2-t-butyl-5-methylphenol)
• 4,4-Thiobis-(6-t-butyl-3-methyl-phenol)
• 5-tert-Butyl-4-hydroxy-2-methylphenyl sulfide
• Lowinox 44S36
• Ultranox 236
• 4,4'-Thiobis(3-methyl-6-t-butylphenol)
• Antage Crystal
• Antioxidant AO
• Antioxidant TMB 6
• NSC 35388
• Nocrac 300
• Nonflex BPS
• 6,6'-di-tert-butyl-4,4'-thiodi-m-cresol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[979.39; 1101.16]	J/mol×K	[999.80; 1258.33]
Cp,gas	979.39	J/mol×K	999.80	Joback Calculated Property
Cp,gas	998.33	J/mol×K	1042.89	Joback Calculated Property
Cp,gas	1017.44	J/mol×K	1085.98	Joback Calculated Property
Cp,gas	1037.00	J/mol×K	1129.06	Joback Calculated Property
Cp,gas	1057.29	J/mol×K	1172.15	Joback Calculated Property
Cp,gas	1078.58	J/mol×K	1215.24	Joback Calculated Property
Cp,gas	1101.16	J/mol×K	1258.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Santonox.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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