4-Methylbenzenesulfonic Acid 2-Methyl-3-Butenyl Ester
[CAS# 71394-00-8]

Identification

• Name: 4-Methylbenzenesulfonic Acid 2-Methyl-3-Butenyl Ester
• Synonyms: 4-Methylbenzenesulfonic Acid 2-Methylbut-3-Enyl Ester; 2-Methyl-3-Buten-1-Ol P-Toluenesulfonate; 3-Buten-1-Ol, 2-Methyl-, 4-Methylbenzenesulfonate
• Molecular Formula: C₁₂H₁₆O₃S
• Molecular Weight: 240.32
• CAS Registry Number: 71394-00-8
• SMILES: C1=CC(=CC=C1[S](=O)(=O)OCC(C=C)C)C
• InChI: 1S/C12H16O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h4-8,10H,1,9H2,2-3H3
• InChIKey: QEDLZPCODIVQPU-UHFFFAOYSA-N

Properties

• Density: 1.116g/cm³ (Cal.)
• Boiling point: 344.419°C at 760 mmHg (Cal.)
• Flash point: 162.099°C (Cal.)