1-Methylpropyl methanesulfonate
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Basic information
- CAS
16156-54-0- Standard SMILES
CCC(C)OS(C)(=O)=O- InChIKey
BQWQGEBNCNNFCI-UHFFFAOYSA-N- Molecular formula
- C5H12O3S
- Average molar mass
- 152.21 g/mol
- Monoisotopic mass
- 152.05071541
Names & identifiers
- Preferred name
- 1-Methylpropyl methanesulfonate
- IUPAC
- butan-2-yl methanesulfonate
- English name
- 2-BUTYLMETHANESULPHONATE
- Molecular formula
- C5H12O3S
- Molecular weight
- 152.21
Names & synonyms
16156-54-01-Methylpropyl methanesulfonateDTXSID00923149RefChem:1055892DTXCID10220535sec-Butyl methanesulfonate2-Butyl methanesulfonatebutan-2-yl methanesulfonateMethanesulfonic acid, 1-methylpropyl esterMFCD01715284(R,S)-2-Butylmethanesulfonate119943-51-0
Show more names
Sec-Butyl Methansulfonat2-BUTYLMETHANESULPHONATE
sec-Butyl mesylate2-Butyl methanesulphonate1-Methylpropyl Ester Methanesulfonic AcidCCRIS 9159Methanesulfonic acid, sec-butyl esterBRN 1753434CCRIS 2956(R,S)-2-Butyl methanesulfonate
Database identifiers
- CAS
16156-54-0- PubChem CID
- 146192
- DTXSID
DTXSID00923149- Nikkaji
- J549.619E
Properties
Computed structural propertiesFilling in
- 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
- Boiling point
- 61.4 · 61.4-61.5 °C(Press: 0.5 Torr)
- Density
- 1.1053 g/cm3 · 1.1053 g/cm3(Temp: 25 °C)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- InChI
- InChI=1S/C5H12O3S/c1-4-5(2)8-9(3,6)7/h5H,4H2,1-3H3
- InChIKey
- BQWQGEBNCNNFCI-UHFFFAOYSA-N
- SMILES
- CS(OC(C)CC)(=O)=O
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Flammable
- Hazard statements
- 301 · H301-H319-H331-H401
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P337+P313-P261-P271-P304+P340-P311-P403+P233-P273
- HS Code
- 2904100090 · 2904100090
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
- hs_code
- 2904100090
- Signal word
- Flammable
- Symbol(GHS)
- GHS02
- Hazard statements
- H301-H319-H331-H401
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P337+P313-P261-P271-P304+P340-P311-P403+P233-P273
Related reactions
2 records
Compound notes
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