9-Methyl-8-Oxa-10-Thiabicyclo[4.4.0]Deca-1,3,5-Trien-7-One
[CAS# 5651-50-3]

Identification

• Name: 9-Methyl-8-Oxa-10-Thiabicyclo[4.4.0]Deca-1,3,5-Trien-7-One
• Synonyms: 3,1-Benzoxathian-4-One, 2-Methyl-; 4H-3,1-Benzoxathiin-4-One, 2-Methyl-; Benzoic Acid, 2-[(1-Hydroxyethyl)Thio]-, .Delta.-Lactone
• Molecular Formula: C₉H₈O₂S
• Molecular Weight: 180.22
• CAS Registry Number: 5651-50-3
• SMILES: C1=C2C(=CC=C1)SC(C)OC2=O
• InChI: 1S/C9H8O2S/c1-6-11-9(10)7-4-2-3-5-8(7)12-6/h2-6H,1H3
• InChIKey: HFBZRMAAZCVYPI-UHFFFAOYSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• Boiling point: 343.66°C at 760 mmHg (Cal.)
• Flash point: 176.056°C (Cal.)