4-{2-[(2Z,5Z,8Z)-2,5,8-Tetradecatrien-1-yl]phenyl}butanoic acid
[CAS# 85924-33-0]

Identification

• Name: 4-{2-[(2Z,5Z,8Z)-2,5,8-Tetradecatrien-1-yl]phenyl}butanoic acid
• Synonyms: 4-(2-Tetradeca-2,5,8-trienyl-phenyl)-butyric acid; 4-{2-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]phenyl}butanoic acid; 5,6-Benzoarachidonic acid
• Molecular Formula: C₂₄H₃₄O₂
• Molecular Weight: 354.53
• CAS Registry Number: 85924-33-0
• SMILES: CCCCC/C=C\C/C=C\C/C=C\CC1=CC=CC=C1CCCC(=O)O
• InChI: 1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-18-14-15-19-23(22)20-16-21-24(25)26/h6-7,9-10,12-15,18-19H,2-5,8,11,16-17,20-21H2,1H3,(H,25,26)/b7-6-,10-9-,13-12-
• InChIKey: SCEMGBQAHRNYRD-QNEBEIHSSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 512.4±39.0°C at 760 mmHg (Cal.)
• Flash point: 408.9±22.2°C (Cal.)