(3S)-4-Acetyl-1,3-Dihydro-1-Oxo-5-[(1S)-1,3,3-Trimethylcyclohexyl]Isobenzofuran-3-Ol Acetate
[CAS# 102396-21-4]

Identification

• Name: (3S)-4-Acetyl-1,3-Dihydro-1-Oxo-5-[(1S)-1,3,3-Trimethylcyclohexyl]Isobenzofuran-3-Ol Acetate
• Synonyms: [(1S)-7-Acetyl-3-Oxo-6-[(1S)-1,3,3-Trimethylcyclohexyl]-1H-Isobenzofuran-1-Yl] Acetate; Acetic Acid [(1S)-7-Acetyl-3-Oxo-6-[(1S)-1,3,3-Trimethylcyclohexyl]-1H-Isobenzofuran-1-Yl] Ester; Acetic Acid [(1S)-7-Acetyl-3-Keto-6-[(1S)-1,3,3-Trimethylcyclohexyl]-1H-Isobenzofuran-1-Yl] Ester
• Molecular Formula: C₂₁H₂₆O₅
• Molecular Weight: 358.43
• CAS Registry Number: 102396-21-4
• SMILES: [C@H]1(C2=C(C(=O)O1)C=CC(=C2C(=O)C)[C@@]3(CC(C)(C)CCC3)C)OC(=O)C
• InChI: 1S/C21H26O5/c1-12(22)16-15(21(5)10-6-9-20(3,4)11-21)8-7-14-17(16)19(25-13(2)23)26-18(14)24/h7-8,19H,6,9-11H2,1-5H3/t19-,21-/m0/s1
• InChIKey: OMNZZWDXPDXHHJ-FPOVZHCZSA-N

Properties

• Density: 1.191g/cm³ (Cal.)
• Boiling point: 483.769°C at 760 mmHg (Cal.)
• Flash point: 210.401°C (Cal.)