[(3aR,5R,6S,6aR)-5-[(1R)-1,2-Dihydroxyethyl]-2,2-Dimethyl-3a,5,6,6a-Tetrahydrofuro[4,5-d][1,3]Dioxol-6-Yl] Butanoate
[CAS# 125161-47-9]

Identification

• Name: [(3aR,5R,6S,6aR)-5-[(1R)-1,2-Dihydroxyethyl]-2,2-Dimethyl-3a,5,6,6a-Tetrahydrofuro[4,5-d][1,3]Dioxol-6-Yl] Butanoate
• Synonyms: Butanoic Acid [(3Ar,5R,6S,6Ar)-5-[(1R)-1,2-Dihydroxyethyl]-2,2-Dimethyl-3A,5,6,6A-Tetrahydrofuro[4,5-D][1,3]Dioxol-6-Yl] Ester; Butyric Acid [(3Ar,5R,6S,6Ar)-5-[(1R)-1,2-Dihydroxyethyl]-2,2-Dimethyl-3A,5,6,6A-Tetrahydrofuro[4,5-D][1,3]Dioxol-6-Yl] Ester; Esterbut-3
• Molecular Formula: C₁₃H₂₂O₇
• Molecular Weight: 290.31
• CAS Registry Number: 125161-47-9
• SMILES: [C@H]12OC(O[C@H]1O[C@@H]([C@@H]2OC(=O)CCC)[C@H](O)CO)(C)C
• InChI: 1S/C13H22O7/c1-4-5-8(16)17-10-9(7(15)6-14)18-12-11(10)19-13(2,3)20-12/h7,9-12,14-15H,4-6H2,1-3H3/t7-,9-,10+,11-,12-/m1/s1
• InChIKey: WFVFQUPBGWFLMB-DVYMNCLGSA-N

Properties

• Density: 1.285g/cm³ (Cal.)
• Boiling point: 415.331°C at 760 mmHg (Cal.)
• Flash point: 151.484°C (Cal.)