Basic information
- CAS
50599-13-8- Standard SMILES
CC[C@H](C)OS(C)(=O)=O- InChIKey
BQWQGEBNCNNFCI-YFKPBYRVSA-N- Molecular formula
- C5H12O3S
- Average molar mass
- 152.21 g/mol
- Monoisotopic mass
- 152.05071524
Names & identifiers
- Preferred name
- (2S)-butan-2-yl methanesulfonate
- IUPAC
- [(2S)-butan-2-yl] methanesulfonate
- English name
- Methanesulfonic acid,(1S)-1-methylpropyl ester
- Molecular formula
- C5H12O3S
- Molecular weight
- 152.21
Names & synonyms
(2S)-BUTAN-2-YL METHANESULFONATERefChem:398678(1S)-1-methylpropyl methanesulfonate610-546-750599-13-8Methanesulfonic acid, 1-methylpropyl ester, (S)-(S)-2-Butyl methanesulfonate[(2S)-butan-2-yl] methanesulfonateMETHANESULFONIC ACID, (1S)-1-METHYLPROPYL ESTER(+)-S-2-Butyl mesylateCCRIS 2958SCHEMBL3582899
Show more names
Methanesulfonic acid,(1S)-1-methylpropyl ester
DTXSID50198643BQWQGEBNCNNFCI-YFKPBYRVSA-N(S)-1-Methylpropyl methanesulfonateMFCD01715286(s)-1-methylpropanol methanesulfonate[(1S)-1-methylpropyl] methanesulfonateNS00032089
Database identifiers
- CAS
50599-13-8- PubChem CID
- 149298
- DTXSID
DTXSID50198643- EC Number
- 610-546-7
- Nikkaji
- J63.046B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
上海安化生物技术有限公司021-61263375 18168859245
无锡迈默拓普生物科技有限公司15061806929 · [email protected]
Related reactions
1 records
Compound notes
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