Basic information
- CAS
4275-31-4- Standard SMILES
CCCCCCCCCCCC(=O)OCCSCCOC(=O)CCCCCCCCCCC- InChIKey
WPBODUUNDQPEQB-UHFFFAOYSA-N- Molecular formula
- C28H54O4S
- Average molar mass
- 486.8 g/mol
- Monoisotopic mass
- 486.37428137
Names & identifiers
- Preferred name
- Dodecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester
- IUPAC
- 2-(2-dodecanoyloxyethylsulfanyl)ethyl dodecanoate
- English name
- Didodecanoic acid thiobis(2,1-ethanediyl) ester
- Molecular formula
- C28H54O4S
- Molecular weight
- 486.79
Names & synonyms
Dodecanoic acid, thiodi-2,1-ethanediyl esterDodecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) esterRefChem:590220Thiodiglycol dilaurate4275-31-4Thiobis(ethane-2,1-diyl) didodecanoateDidodecanoic acid thiobis(2,1-ethanediyl) esterDTXSID3063388WPBODUUNDQPEQB-UHFFFAOYSA-NSulfanediyldi(ethane-2,1-diyl) didodecanoate
Database identifiers
- CAS
4275-31-4- PubChem CID
- 77958
- DTXSID
DTXSID3063388- Nikkaji
- J421.715B
Properties
Computed structural properties
- XLogP
- 11
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 28
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Boiling point
- 269.2 °C · 269.2 °C(Press: 2 Torr)
- Density
- 0.951 · 0.951±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- Thiodiglycol dilaurate (4275-31-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDodecanoic acid, 1,1'-(thiodi-2,1-ethanediyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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