Pentyl 4-methylbenzenesulfonate
pentyl 4-methylbenzenesulfonate
CAS: 4450-76-4
| Molecular Formula | C12H18O3S |
|---|---|
| Molecular Weight | 242.34 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.8 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.09767 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 4450-76-4 |
|---|---|
| SMILES | CCCCCOS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | KOUCTZDKTJGHSS-UHFFFAOYSA-N |
📖 Product Overview
Pentyl 4-methylbenzenesulfonate (CAS: 4450-76-4) is a chemical compound with molecular formula C12H18O3S and molecular weight 242.34 g/mol. Its IUPAC systematic name is pentyl 4-methylbenzenesulfonate.
KOUCTZDKTJGHSS-UHFFFAOYSA-N.
SMILES: CCCCCOS(=O)(=O)C1=CC=C(C=C1)C.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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📚 Academic Support
Scientific research papers and technical documentation supporting this product for informed procurement decisions.
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