1,3-Propanediol, 2,2-diethyl-, dimethanesulfonate
Basic information
- CAS
56472-22-1- Standard SMILES
CCC(CC)(COS(C)(=O)=O)COS(C)(=O)=O- InChIKey
BMLZMLKREPRGAS-UHFFFAOYSA-N- Molecular formula
- C9H20O6S2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.0701307
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2,2-diethyl-, dimethanesulfonate
- IUPAC
- [2-ethyl-2-(methylsulfonyloxymethyl)butyl] methanesulfonate
- English name
- 3,3-bis(methylsulfonyloxymethyl)pentane
- Molecular formula
- C9H20O6S2
- Molecular weight
- 288.3815
Names & synonyms
56472-22-11,3-Propanediol, 2,2-diethyl-, dimethanesulfonate2,2-Diethyl-1,3-propanediol-1,3-dimethanesulfonate[2-ethyl-2-(methylsulfonyloxymethyl)butyl] methanesulfonateNIOSH/TY53480002,2-Diethylpropane-1,3-diyl dimethanesulfonateTY534800002,2-Diethyl-1,3-propanediol dimethanesulfonateNSC135377SCHEMBL17017227C9H20O6S2DTXSID50300209
Show more names
3,3-bis(methylsulfonyloxymethyl)pentane2-ETHYL-2-[[(METHYLSULFONYL)OXY]METHYL]BUTYL METHANESULFONATE
AKOS024329253NSC-1353772-Ethyl-2-[(methanesulfonyloxy)methyl]butyl methanesulfonate2-Ethyl-2-{[(methanesulfonyl)oxy]methyl}butyl methanesulfonate2-ethyl-2-{[(methylsulfonyl)oxy]methyl}butyl methanesulfonate
Database identifiers
- CAS
56472-22-1- PubChem CID
- 282193
- DTXSID
DTXSID50300209
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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