2,2-Dimethylpropyl 4-Methylbenzenesulfonate
[CAS# 2346-07-8]

Identification

• Name: 2,2-Dimethylpropyl 4-Methylbenzenesulfonate
• Synonyms: 4-Methylbenzenesulfonic Acid 2,2-Dimethylpropyl Ester; 4-Methylbenzenesulfonic Acid Neopentyl Ester; 1-Propanol, 2,2-Dimethyl-, 4-Methylbenzenesulfonate
• Molecular Formula: C₁₂H₁₈O₃S
• Molecular Weight: 242.33
• CAS Registry Number: 2346-07-8
• SMILES: C1=CC(=CC=C1[S](OCC(C)(C)C)(=O)=O)C
• InChI: 1S/C12H18O3S/c1-10-5-7-11(8-6-10)16(13,14)15-9-12(2,3)4/h5-8H,9H2,1-4H3
• InChIKey: ZIUSUDLSXJPGTD-UHFFFAOYSA-N

Properties

• Density: 1.102g/cm³ (Cal.)
• Boiling point: 338.044°C at 760 mmHg (Cal.)
• Flash point: 158.244°C (Cal.)