Basic information
- CAS
3586-50-3- Standard SMILES
CS(=O)(=O)OCC(=O)O- InChIKey
RRFDQGMDVFAAGT-UHFFFAOYSA-N- Molecular formula
- C3H6O5S
- Average molar mass
- 154.14 g/mol
- Monoisotopic mass
- 153.99359446
Names & identifiers
- Preferred name
- 2-(Methanesulfonyloxy)acetic acid
- IUPAC
- 2-methylsulfonyloxyacetic acid
Names & synonyms
2-(methanesulfonyloxy)acetic acidRefChem:461163848-641-23586-50-32-methylsulfonyloxyacetic acidCarboxymethyl methanesulfonateGlycolic acid, methanesulfonateAcetic acid, [(methylsulfonyl)oxy]-2-((methylsulfonyl)oxy)acetic acid2-[(Methylsulfonyl)oxy]acetic AcidAcetic acid, ((methylsulfonyl)oxy)-MFCD20638724
Show more names
NSC 24897Acetic acid, ((methylsulfonyl)oxy)- (9CI)SCHEMBL9009202-(methanesulfonyloxy)aceticacidDTXSID50189410[(Methanesulfonyl)oxy]acetic acidDAA58650NSC24897
Database identifiers
- CAS
3586-50-3- PubChem CID
- 95233
- DTXSID
DTXSID50189410- EC Number
- 848-641-2
- Nikkaji
- J1.064.169A
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 185
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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