Pentyl Toluene-4-Sulphonate
[CAS# 4450-76-4]

Identification

• Name: Pentyl Toluene-4-Sulphonate
• Synonyms: 4-Methylbenzenesulfonic Acid Pentyl Ester; 4-Methylbenzenesulfonic Acid Amyl Ester; Benzenesulfonic Acid, 4-Methyl-, Pentyl Ester
• Molecular Formula: C₁₂H₁₈O₃S
• Molecular Weight: 242.33
• CAS Registry Number: 4450-76-4
• EINECS: 224-693-6
• SMILES: C1=C([S](OCCCCC)(=O)=O)C=CC(=C1)C
• InChI: 1S/C12H18O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3
• InChIKey: KOUCTZDKTJGHSS-UHFFFAOYSA-N

Properties

• Density: 1.102g/cm³ (Cal.)
• Boiling point: 349.914°C at 760 mmHg (Cal.)
• Flash point: 165.422°C (Cal.)