6-[7-[5-Ethyl-5-(5-Ethyl-5-Hydroxy-6-Methyloxan-2-Yl)-3-Methyloxolan-2-Yl]-4-Hydroxy-3,5-Dimethyl-6-Oxononyl]-2-Hydroxy-3-Methylbenzoic Acid
[CAS# 11054-70-9]

Identification

• Name: 6-[7-[5-Ethyl-5-(5-Ethyl-5-Hydroxy-6-Methyloxan-2-Yl)-3-Methyloxolan-2-Yl]-4-Hydroxy-3,5-Dimethyl-6-Oxononyl]-2-Hydroxy-3-Methylbenzoic Acid
• Synonyms: 6-[7-[5-Ethyl-5-(5-Ethyl-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)-3-Methyl-Tetrahydrofuran-2-Yl]-4-Hydroxy-3,5-Dimethyl-6-Oxo-Nonyl]-2-Hydroxy-3-Methyl-Benzoic Acid; 6-[7-[5-Ethyl-5-(5-Ethyl-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl)-3-Methyl-2-Tetrahydrofuranyl]-4-Hydroxy-3,5-Dimethyl-6-Oxononyl]-2-Hydroxy-3-Methylbenzoic Acid; 6-[7-[5-Ethyl-5-(5-Ethyl-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)-3-Methyl-Tetrahydrofuran-2-Yl]-4-Hydroxy-6-Keto-3,5-Dimethyl-Nonyl]-2-Hydroxy-3-Methyl-Benzoic Acid
• Molecular Formula: C₃₄H₅₄O₈
• Molecular Weight: 590.80
• CAS Registry Number: 11054-70-9
• SMILES: C1=CC(=C(C(=C1CCC(C(C(C(C(C3OC(C2OC(C(CC)(O)CC2)C)(CC3C)CC)CC)=O)C)O)C)C(=O)O)O)C
• InChI: 1S/C34H54O8/c1-9-25(31-21(6)18-34(11-3,42-31)26-16-17-33(40,10-2)23(8)41-26)30(37)22(7)28(35)19(4)12-14-24-15-13-20(5)29(36)27(24)32(38)39/h13,15,19,21-23,25-26,28,31,35-36,40H,9-12,14,16-18H2,1-8H3,(H,38,39)
• InChIKey: BBMULGJBVDDDNI-UHFFFAOYSA-N

Properties

• Density: 1.119g/cm³ (Cal.)
• Boiling point: 735.684°C at 760 mmHg (Cal.)
• Flash point: 224.787°C (Cal.)