2-Hydroxy-3-Phenoxypropyl p-Toluenesulphonate
[CAS# 68938-62-5]

Identification

• Name: 2-Hydroxy-3-Phenoxypropyl p-Toluenesulphonate
• Synonyms: 4-Methylbenzenesulfonic Acid [2-Hydroxy-3-(Phenoxy)Propyl] Ester; 1,2-Propanediol, 3-Phenoxy-, 1-(4-Methylbenzenesulfonate); 2-Hydroxy-3-Phenoxypropyl P-Toluenesulphonate
• Molecular Formula: C₁₆H₁₈O₅S
• Molecular Weight: 322.38
• CAS Registry Number: 68938-62-5
• EINECS: 273-134-2
• SMILES: C1=C(C=CC(=C1)C)[S](=O)(=O)OCC(O)COC2=CC=CC=C2
• InChI: 1S/C16H18O5S/c1-13-7-9-16(10-8-13)22(18,19)21-12-14(17)11-20-15-5-3-2-4-6-15/h2-10,14,17H,11-12H2,1H3
• InChIKey: ZJLFIBYTDJXIKP-UHFFFAOYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 518.791°C at 760 mmHg (Cal.)
• Flash point: 267.556°C (Cal.)