4,4'-Thiodi(3-methyl-6-tert-butylphenol)
Basic information
- CAS
2664-38-2- Standard SMILES
Cc1cc(O)c(C(C)(C)C)cc1SSc1cc(C(C)(C)C)c(O)cc1C- InChIKey
PDZFTCZFUMIMKC-UHFFFAOYSA-N- Molecular formula
- C22H30O2S2
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.16872254
Names & identifiers
- Preferred name
- 4,4'-Thiodi(3-methyl-6-tert-butylphenol)
- IUPAC
- 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
- English name
- Phenol, 4,4-dithiobis2-(1,1-dimethylethyl)-5-methyl-
- Molecular formula
- C22H30O2S2
- Molecular weight
- 390.6
Names & synonyms
4,4'-Thiodi(3-methyl-6-tert-butylphenol)2664-38-2UNII-Z793AHQ2JKZ793AHQ2JK4,4''-Thiobis(6-tert-butyl-m-cresol)4,4'-Dithiobis(6-tert-butyl)-m-cresol4,4'-Thiodi(3-methyl-6-t-butylphenol)m-Cresol, 4,4'-dithiobis(6-tert-butyl-4,4'-Thio-bis-2-tertbutyl-5-methylphenolBis(2-methyl-5-tert-butyl-4-hydroxyphenyl monosulfide)RefChem:198480Phenol, 4,4-dithiobis2-(1,1-dimethylethyl)-5-methyl-
Show more names
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenolorb1986712SCHEMBL29733021PDZFTCZFUMIMKC-UHFFFAOYSA-NAKOS040749963T29425Q27295104
Database identifiers
- CAS
2664-38-2- PubChem CID
- 15919604
- UNII
- Z793AHQ2JK
- Nikkaji
- J60.271J
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Boiling point
- 489.4 · 489.4±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 10.54 · 10.54±0.36(Predicted)
- FDA UNII
- 793 AHQ2JK · Z793AHQ2JK
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPhenol, 4,4'-dithiobis[2-(1,1-dimethylethyl)-5-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Related reactions
0 records
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Compound notes
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