4-Oxoretinoic acid
[CAS# 150737-18-1]

Identification

• Name: 4-Oxoretinoic acid
• Synonyms: (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-oxo-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid; (E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid; 4-Keto 13-cis-Retinoic Acid
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.42
• CAS Registry Number: 150737-18-1
• SMILES: CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
• InChI: 1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
• InChIKey: GGCUJPCCTQNTJF-FRCNGJHJSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 509.9±29.0°C at 760 mmHg (Cal.)
• Flash point: 276.3±20.8°C (Cal.)
• Refractive index: 1.565 (Cal.)