1,4a,5,6,7,7a-Hexahydro-1,6-Dihydroxy-Cyclopenta(c)Pyran-4,7-Dimethanol 1-Isovalerate
[CAS# 76319-15-8]

Identification

• Name: 1,4a,5,6,7,7a-Hexahydro-1,6-Dihydroxy-Cyclopenta(c)Pyran-4,7-Dimethanol 1-Isovalerate
• Synonyms: 3-Methylbutanoic Acid [(1S,4Ar,6R,7R,7Ar)-6-Hydroxy-4,7-Bis(Hydroxymethyl)-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-1-Yl] Ester; 3-Methylbutyric Acid [(1S,4Ar,6R,7R,7Ar)-6-Hydroxy-4,7-Dimethylol-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-1-Yl] Ester; 5-17-06-00498 (Beilstein Handbook Reference)
• Molecular Formula: C₁₅H₂₄O₆
• Molecular Weight: 300.35
• CAS Registry Number: 76319-15-8
• SMILES: [C@H]12[C@H](C(=CO[C@H]1OC(=O)CC(C)C)CO)C[C@@H](O)[C@H]2CO
• InChI: 1S/C15H24O6/c1-8(2)3-13(19)21-15-14-10(9(5-16)7-20-15)4-12(18)11(14)6-17/h7-8,10-12,14-18H,3-6H2,1-2H3/t10-,11+,12+,14+,15-/m0/s1
• InChIKey: PWJFLTCGPYRIGH-PRSHDEELSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 476.784°C at 760 mmHg (Cal.)
• Flash point: 173.641°C (Cal.)