Basic information
- CAS
63526-71-6- Standard SMILES
CCC(C)COS(=O)(=O)c1ccc(C)cc1- InChIKey
HPEVJTNZYIMANV-UHFFFAOYSA-N- Molecular formula
- C12H18O3S
- Average molar mass
- 242.34 g/mol
- Monoisotopic mass
- 242.09766544
Names & identifiers
- Preferred name
- 1-Butanol, 2-methyl-, 1-(4-methylbenzenesulfonate)
- IUPAC
- 2-methylbutyl 4-methylbenzenesulfonate
Names & synonyms
63526-71-6DTXSID508866191-Butanol, 2-methyl-, 4-methylbenzenesulfonate1-Butanol, 2-methyl-, 1-(4-methylbenzenesulfonate)RefChem:75218DTXCID7010259432-methylbutyl 4-methylbenzenesulfonate2-methylbutyl 4-methylbenzene-1-sulfonatep-toluenesulfonic acid 2-methylbutyl esterNSC1774922-methylbutyl tosylate2-methylbutyl p-toluenesufonate
Show more names
SCHEMBL42022312-methylbutyl p-toluenesulfonateNSC-177492(+)-beta-methylbutyl-4-toluenesulfonateDB-049260(S)-(+)-2-Methyl-1-butanol p-ToluenesulfonateEN300-7226878
Database identifiers
- CAS
63526-71-6- PubChem CID
- 301199
- DTXSID
DTXSID50886619
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanol, 2-methyl-, 1-(4-methylbenzenesulfonate): INACTIVE
Related reactions
9 records
Compound notes
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