3-Methylbutan-2-yl methanesulfonate
Basic information
- CAS
26943-74-8- Standard SMILES
CC(C)C(C)OS(C)(=O)=O- InChIKey
HREPGPGLHZOQGE-UHFFFAOYSA-N- Molecular formula
- C6H14O3S
- Average molar mass
- 166.24 g/mol
- Monoisotopic mass
- 166.06636548
Names & identifiers
- Preferred name
- 3-Methylbutan-2-yl methanesulfonate
- IUPAC
- 3-methylbutan-2-yl methanesulfonate
- English name
- 3-METHYL-2-BUTYLMETHANESULPHONATE
- Molecular formula
- C6H14O3S
- Molecular weight
- 166.24
Names & synonyms
3-methylbutan-2-yl methanesulfonate26943-74-8DTXSID20949725RefChem:504163DTXCID301377906975-987-23-methyl-2-butylmethanesulphonateBRN 22389213-Methyl-2-butyl methanesulfonate3-Methyl-2-butylmeththanesulfonate3-Methyl-2-butyl methanesulphonate3-Methyl-2-butanol methanesulfonate
Show more names
2-Butanol, 3-methyl-, 2-methanesulfonate
2-Butanol, 3-methyl-, methanesulfonatestarbld0032943SCHEMBL7785269BBA94374AKOS006278424EN300-1236594
Database identifiers
- CAS
26943-74-8- PubChem CID
- 147156
- DTXSID
DTXSID20949725- EC Number
- 975-987-2
- Nikkaji
- J549.610A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 176
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P319, P321, P330, P363, 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%)
Suppliers
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Related reactions
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Compound notes
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