1-Methyl-4-{[(1E)-3-methyl-1,3-butadien-1-yl]sulfonyl}benzene
[CAS# 791064-99-8]

Identification

• Name: 1-Methyl-4-{[(1E)-3-methyl-1,3-butadien-1-yl]sulfonyl}benzene
• Synonyms: (E)-1-methyl-4-((3-methylbuta-1,3-dien-1-yl)sulfonyl)benzene
• Molecular Formula: C₁₂H₁₄O₂S
• Molecular Weight: 222.30
• CAS Registry Number: 791064-99-8
• SMILES: Cc1ccc(cc1)S(=O)(=O)/C=C/C(=C)C
• InChI: 1S/C12H14O2S/c1-10(2)8-9-15(13,14)12-6-4-11(3)5-7-12/h4-9H,1H2,2-3H3/b9-8+
• InChIKey: CVGUTKZISFNHBA-CMDGGOBGSA-N

Properties

• Density: 1.1g/cm³ (Cal.)
• Boiling point: 376.642°C at 760 mmHg (Cal.)
• Flash point: 217.806°C (Cal.)
• Refractive index: 1.534 (Cal.)