2-Propanone, 1-((methylsulfonyl)oxy)-

HCID 146754

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Basic information

CAS: 23479-35-8
Standard SMILES: CC(=O)COS(C)(=O)=O
InChIKey: OJFOKJDIGADHQG-UHFFFAOYSA-N
Molecular formula: C4H8O4S
Average molar mass: 152.17 g/mol
Monoisotopic mass: 152.01432991

Names & identifiers

Preferred name: 2-Propanone, 1-((methylsulfonyl)oxy)-
IUPAC: 2-oxopropyl methanesulfonate
English name: 1-methylsulfonyloxypropan-2-one
Molecular formula: C4H8O4S
Molecular weight: 152.17

Names & synonyms

2-oxopropyl methanesulfonate23479-35-82-Propanone, 1-((methylsulfonyl)oxy)-2-Propanone, 1-[(methylsulfonyl)oxy]-AI3-61237DTXSID00178036RefChem:478545DTXCID30100527830-502-22-oxopropylmethanesulfonate1-(methylsulfonyloxy)acetoneSCHEMBL6578001

Show more names

1-methylsulfonyloxypropan-2-one1-[(Methylsulfonyl)oxy]-2-propanone

OJFOKJDIGADHQG-UHFFFAOYSA-NYAA47935EN300-367256

Database identifiers

CAS: 23479-35-8
PubChem CID: 146754
DTXSID: DTXSID00178036
EC Number: 830-502-2
Nikkaji: J1.003K

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 68.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 185

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H302-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H302-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501