Ethanol, 2,2'-sulfonylbis-, diacetate
Basic information
- CAS
3763-72-2- Standard SMILES
CC(=O)OCCS(=O)(=O)CCOC(C)=O- InChIKey
ZNEZVLKEOCTFHJ-UHFFFAOYSA-N- Molecular formula
- C8H14O6S
- Average molar mass
- 238.26 g/mol
- Monoisotopic mass
- 238.05110934
Names & identifiers
- Preferred name
- Ethanol, 2,2'-sulfonylbis-, diacetate
- IUPAC
- 2-(2-acetyloxyethylsulfonyl)ethyl acetate
- English name
- 2,2'-sulphonylbisethyl diacetate
- Molecular formula
- C8H14O6S
- Molecular weight
- 238.25816
Names & synonyms
Bis(2-acetoxyethyl)sulfone3763-72-22,2'-Sulfonyldiethanol diacetate2,2'-Sulfonylbisethanol diacetateSulfone, bis(2-acetoxyethyl)MY85CQ5PXQEthanol, 2,2'-sulfonylbis-, diacetateDTXSID20191065RefChem:1084450DTXCID30113556223-182-52,2'-Sulphonylbisethyl diacetate
Show more names
Bis(2-acetoxyethyl) sulfone
Ethanol, 2,2'-sulfonyldi-, diacetateBis(acetoxyethyl)sulfoneEINECS 223-182-5BRN 17936322-(2-acetyloxyethylsulfonyl)ethyl acetateacetoxyethylsulphoneUNII-MY85CQ5PXQEthanol, 2,2'-sulfonylbis-, diacetate (9CI)
Database identifiers
- CAS
3763-72-2- PubChem CID
- 77377
- DTXSID
DTXSID20191065- UNII
- MY85CQ5PXQ
- EC Number
- 223-182-5
- Nikkaji
- J61.414I
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 350.85 °C · 350.85°C (rough estimate)
- Density
- 1.4965 · 1.4965 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- FDA UNII
- 85 CQ5PXQ · MY85CQ5PXQ
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 14 g/kg AIHAAP 30,470,69
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
- Toxicity
- LD50 orl-rat: 14 g/kg AIHAAP 30,470,69
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Related reactions
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Compound notes
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