Basic information
- CAS
4142-74-9- Standard SMILES
CCCCCCCCCc1cc(C)cc(CSCCOCCSCc2cc(C)cc(CCCCCCCCC)c2O)c1O- InChIKey
ZHEOXZXROVDONK-UHFFFAOYSA-N- Molecular formula
- C38H62O3S2
- Average molar mass
- 631 g/mol
- Monoisotopic mass
- 630.41403818
Names & identifiers
- Preferred name
- Phenol, 2,2'-[oxybis(2,1-ethanediylthiomethylene)]bis[4-methyl-6-nonyl-
- IUPAC
- 2-[2-[2-[(2-hydroxy-5-methyl-3-nonylphenyl)methylsulfanyl]ethoxy]ethylsulfanylmethyl]-4-methyl-6-nonylphenol
Names & synonyms
EINECS 223-966-7Phenol, 2,2'-[oxybis(2,1-ethanediylthiomethylene)]bis[4-methyl-6-nonyl-DTXSID00633172,4-Xylenol, alpha2,alpha2'-(oxybis(ethylenethio))bis(6-nonyl-Phenol, 2,2'-(oxybis(2,1-ethanediylthiomethylene))bis(4-methyl-6-nonyl-RefChem:860669DTXCID30399092,4-Xylenol, .alpha.2,.alpha.2'-[oxybis(ethylenethio)]bis[6-nonyl-4142-74-9ZHEOXZXROVDONK-UHFFFAOYSA-NNS00030982alpha2,alpha2'-(Oxybis(ethylenethio))bis(6-nonyl-2,4-xylenol)
Show more names
2,2'-[Oxybis(ethane-2,1-diylsulfanediylmethylene)]bis(4-methyl-6-nonylphenol)
Database identifiers
- CAS
4142-74-9- PubChem CID
- 77791
- DTXSID
DTXSID0063317- EC Number
- 223-966-7
- Nikkaji
- J224.946D
Properties
Computed structural properties
- XLogP
- 13.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 26
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 582
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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 InformationChemical: 2,4-Xylenol, .alpha.2,.alpha.2'-[oxybis(ethylenethio)]bis[6-nonyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,2'-[oxybis(2,1-ethanediylthiomethylene)]bis[4-methyl-6-nonyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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