(3E)-3-Butylidene-6,7-Dihydroxy-4,5,6,7-Tetrahydro-2-Benzofuran-1-One
[CAS# 153609-96-2]

Identification

• Name: (3E)-3-Butylidene-6,7-Dihydroxy-4,5,6,7-Tetrahydro-2-Benzofuran-1-One
• Synonyms: (3E)-3-Butylidene-6,7-Dihydroxy-4,5,6,7-Tetrahydroisobenzofuran-1-One; 3-Btd-Isobenzofuranone; 3-Butylidene-4,5,6,7-Tetrahydro-6,7-Dihydroxy-1(3H)-Isobenzofuranone
• Molecular Formula: C₁₂H₁₆O₄
• Molecular Weight: 224.26
• CAS Registry Number: 153609-96-2
• SMILES: C(/C=C1/OC(=O)C2=C1CCC(O)C2O)CC
• InChI: 1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4+
• InChIKey: DQNGMIQSXNGHOA-RUDMXATFSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 444.819°C at 760 mmHg (Cal.)
• Flash point: 175.149°C (Cal.)