4,4′-Thiobis[3-methyl-6-tert-butylphenol]
Properties
- Molecular formula
- C22H30O2S
- Molar mass
- 358.54 g/mol
- Exact mass
- 358.1967 Da
- Density
- 1.1 g/mL
- Melting point
- 150 °C
- Flash point
- 215.6 °C
- Water solubility
- 800 mg/L
- logP
- 6.46Crippen estimate
- Polar surface area
- 40.5 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H317 May cause an allergic skin reaction96.5% of notifiers
- H319 Causes serious eye irritation73.6% of notifiers
- H400 Very toxic to aquatic life42.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects42.8% of notifiers
Aggregated from 807 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, P501
Identifiers
CAS number
96-69-5SMILES
Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1CInChIKey
HXIQYSLFEXIOAV-UHFFFAOYSA-NInChI
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,1-8H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.21 (s, 2H), 6.45 (s, 2H), 5.30 (br s, 2H), 2.35 (s, 6H), 1.21 (s, 18H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 150.3, 138.5, 135.5, 128.8, 128.6, 116.6, 42.6, 31.5, 19.8.[M + H]+
[M + H]+ Calcd for C22H31O2S 359.2039[M + Na]+
[M + Na]+ Calcd for C22H30NaO2S 381.1859[M − H]−
[M − H]− Calcd for C22H29O2S 357.1894Elemental analysis
Anal. Calcd for C22H30O2S: C, 73.70; H, 8.43; S, 8.94.Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
62 names · show all
- 4,4′-Thiobis(3-methyl-6-tert-butylphenol)
- Bis(3-tert-butyl-4-hydroxy-6-methylphenyl) sulfide
- Bis(4-hydroxy-5-tert-butyl-2-methylphenyl) sulfide
- Disperse MB 61
- Santonox
- Santowhite crystals
- 4,4′-Thiobis[6-tert-butyl-3-methylphenol]
- 1,1′-Thiobis(2-methyl-4-hydroxy-5-tert-butyl)benzene
- Phenol, 4,4′-thiobis[2-(1,1-dimethylethyl)-5-methyl-
- m-Cresol, 4,4′-thiobis[6-tert-butyl-
- 4,4′-Thiobis[2-(1,1-dimethylethyl)-5-methylphenol]
- Bis(2-methyl-4-hydroxy-5-tert-butylphenyl) sulfide
- 4,4′-Thiobis[2-tert-butyl-5-methylphenol]
- Bis(2-methyl-5-tert-butyl-4-hydroxyphenyl) sulfide
- Thioalkofen BMCh
- 2,2′-Di-tert-butyl-5,5′-dimethyl-4,4′-thiodiphenol
- Thioalkofen BM
- Thioalkofen MBCh
- Bis(5-tert-butyl-4-hydroxy-2-methylphenyl) sulfide
- Thioalkofen BM 4
- Sumilizer WX
- 4,4′-Bis(6-tert-butyl-m-cresol) sulfide
- Santonox BM
- Yoshinox SR
- 4,4′-Thiobis[6-tert-butyl-m-cresol]
- Sumilizer WX-R
- Santonox R
- Yoshinox S
- Nocrac 300
- Nonflex BPS
- AO 4
- Antioxidant TMB 6
- Sumilizer WX-RC
- Antage crystal
- Nonflex BPS-R
- ZBX 1R
- N 300
- Seenox BCS
- Lowinox TBM 6
- Irganox 415
- Antigene WX-R
- Lowinox 44S36
- Keminox 236T
- Santonox TBMC
- Ultranox 236
- NSC 35388
- Antioxidant 300
- Durad AX 16
- 4,4′-Thiobis(6-t-butyl-m-cresol)
- Lowinox TBM 6P
- AO 1081
- Irganox 300
- TBM 6
- Antioxidant B 102
- Antioxidant BPS
- 4,4′-Thiobis(6-tert-butyl-m-cresol)
- AO 300
- Chinox 300
- K 300
- Lowinox rosin 6
- AO-TBM 6
- 2-tert-Butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
Work with 4,4′-Thiobis[3-methyl-6-tert-butylphenol]
Similar compounds
2,5-Di-tert-butylhydroquinone88-58-457 % similar
Tris(2-methyl-4-hydroxy-5-tert-butylphenyl)butane1843-03-453 % similar
4,4′-Butylidenebis[3-methyl-6-tert-butylphenol]85-60-949 % similar
2-tert-Butyl-4-methylphenol2409-55-446 % similar
5-Amino-2,4-bis(1,1-dimethylethyl)phenol873055-58-446 % similar
3-Methyl-6-tert-butylphenol88-60-846 % similar
tert-Butylhydroquinone1948-33-043 % similar
2,4-Di-tert-butylphenol96-76-443 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.