(1R-(1alpha(7R*,8R*(1R*,2S*,5R*)),2beta ,5alpha))-(((5-Methyl-2-(1-Methylethyl)Cyclohexyl)Oxy)Acetic Acid 7,8-DihydroBenzo[a]Pyrene-7,8-Diyl Ester
[CAS# 97388-52-8]

Identification

• Name: (1R-(1alpha(7R*,8R*(1R*,2S*,5R*)),2beta ,5alpha))-(((5-Methyl-2-(1-Methylethyl)Cyclohexyl)Oxy)Acetic Acid 7,8-DihydroBenzo[a]Pyrene-7,8-Diyl Ester
• Synonyms: [8-[2-(2-Isopropyl-5-Methyl-Cyclohexoxy)Acetyl]Oxy-7,8-Dihydrobenzo[A]Pyren-7-Yl] 2-(2-Isopropyl-5-Methyl-Cyclohexoxy)Acetate; 2-(2-Isopropyl-5-Methylcyclohexoxy)Acetic Acid [8-[2-(2-Isopropyl-5-Methylcyclohexoxy)-1-Oxoethoxy]-7,8-Dihydrobenzo[A]Pyren-7-Yl
• Molecular Formula: C₄₄H₅₄O₆
• Molecular Weight: 678.91
• CAS Registry Number: 97388-52-8 (62314-70-9)
• SMILES: C2=C6C(=C4C3=C1C(=CC=CC1=CC=C23)C=C4)C=CC(OC(=O)COC5C(C(C)C)CCC(C5)C)C6OC(=O)COC7C(C(C)C)CCC(C7)C
• InChI: 1S/C44H54O6/c1-25(2)32-15-10-27(5)20-38(32)47-23-40(45)49-37-19-18-34-35-17-14-30-9-7-8-29-12-13-31(43(35)42(29)30)22-36(34)44(37)50-41(46)24-48-39-21-28(6)11-16-33(39)26(3)4/h7-9,12-14,17-19,22,25-28,32-33,37-39,44H,10-11,15-16,20-21,23-24H2,1-6H3
• InChIKey: ZZIKYQVNLSPNCZ-UHFFFAOYSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 767.864°C at 760 mmHg (Cal.)
• Flash point: 308.14°C (Cal.)