4-Hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-Nonaenyl]Benzoic Acid
[CAS# 38332-13-7]

Identification

• Name: 4-Hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-Nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-Nonaenyl]Benzoic Acid
• Synonyms: Pphb-9; 3-Nonaprenyl-4-Hydroxybenzoate; Benzoic Acid, 4-Hydroxy-3-(3,7,11,15,19,23,27,31,35-Nonamethyl-2,6,10,14,18,22,26,30,34-Hexatriacontanonaenyl)-
• Molecular Formula: C₅₂H₇₈O₃
• Molecular Weight: 751.19
• CAS Registry Number: 38332-13-7
• SMILES: C1=C(C(=CC=C1C(=O)O)O)C\C=C(\CC\C=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)C)C)C)C)C
• InChI: 1S/C52H78O3/c1-40(2)19-11-20-41(3)21-12-22-42(4)23-13-24-43(5)25-14-26-44(6)27-15-28-45(7)29-16-30-46(8)31-17-32-47(9)33-18-34-48(10)35-36-49-39-50(52(54)55)37-38-51(49)53/h19,21,23,25,27,29,31,33,35,37-39,53H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3,(H,54,55)/b41-21+,42-23+,43-25+,44-27+,45-29+,46-31+,47-33+,48-35+
• InChIKey: YKKKMRBEPIZPBH-XWEAJCOCSA-N

Properties

• Density: 0.958g/cm³ (Cal.)
• Boiling point: 804.548°C at 760 mmHg (Cal.)
• Flash point: 454.266°C (Cal.)