Lobutoic Acid
[CAS# 522-53-2]

Identification

• Name: Lobutoic Acid
• Synonyms: 3-Hydroxy-9-Methoxy-6-Oxo-7-Pentanoyl-1-Pentyl-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid; 3-Hydroxy-9-Methoxy-6-Oxo-7-(1-Oxopentyl)-1-Pentyl-2-Benzo[B][1,4]Benzodioxepinecarboxylic Acid; 1-Amyl-3-Hydroxy-6-Keto-9-Methoxy-7-Valeryl-Benzo[B][1,4]Benzodioxepine-2-Carboxylic Acid
• Molecular Formula: C₂₅H₂₈O₈
• Molecular Weight: 456.49
• CAS Registry Number: 522-53-2
• SMILES: C1=C(O)C(=C(C2=C1OC(=O)C3=C(O2)C=C(OC)C=C3C(=O)CCCC)CCCCC)C(=O)O
• InChI: 1S/C25H28O8/c1-4-6-8-9-15-21(24(28)29)18(27)13-20-23(15)32-19-12-14(31-3)11-16(17(26)10-7-5-2)22(19)25(30)33-20/h11-13,27H,4-10H2,1-3H3,(H,28,29)
• InChIKey: JHEWMLHQNRHTQX-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 667.9±55.0°C at 760 mmHg (Cal.)
• Flash point: 225.7±25.0°C (Cal.)