[(2R)-2-[(3aR,5R,6S,6aR)-6-Hydroxy-2,2-Dimethyl-3a,5,6,6a-Tetrahydrofuro[4,5-d][1,3]Dioxol-5-Yl]-2-Hydroxyethyl] Butanoate
[CAS# 125161-48-0]

Identification

• Name: [(2R)-2-[(3aR,5R,6S,6aR)-6-Hydroxy-2,2-Dimethyl-3a,5,6,6a-Tetrahydrofuro[4,5-d][1,3]Dioxol-5-Yl]-2-Hydroxyethyl] Butanoate
• Synonyms: [(2R)-2-[(3Ar,5R,6S,6Ar)-6-Hydroxy-2,2-Dimethyl-3A,5,6,6A-Tetrahydrofuro[4,5-D][1,3]Dioxol-5-Yl]-2-Hydroxy-Ethyl] Butanoate; Butanoic Acid [(2R)-2-[(3Ar,5R,6S,6Ar)-6-Hydroxy-2,2-Dimethyl-3A,5,6,6A-Tetrahydrofuro[4,5-D][1,3]Dioxol-5-Yl]-2-Hydroxyethyl] Ester; Butyric Acid [(2R)-2-[(3Ar,5R,6S,6Ar)-6-Hydroxy-2,2-Dimethyl-3A,5,6,6A-Tetrahydrofuro[4,5-D][1,3]Dioxol-5-Yl]-2-Hydroxy-Ethyl] Ester
• Molecular Formula: C₁₃H₂₂O₇
• Molecular Weight: 290.31
• CAS Registry Number: 125161-48-0
• SMILES: [C@@H]12[C@@H]([C@@H](O)[C@H](O1)[C@@H](COC(CCC)=O)O)OC(O2)(C)C
• InChI: 1S/C13H22O7/c1-4-5-8(15)17-6-7(14)10-9(16)11-12(18-10)20-13(2,3)19-11/h7,9-12,14,16H,4-6H2,1-3H3/t7-,9+,10-,11-,12-/m1/s1
• InChIKey: JFNYWUOXVCFHHV-AWHZUTQYSA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 451.036°C at 760 mmHg (Cal.)
• Flash point: 167.09°C (Cal.)