[(1S,2R,3R)-2-Ethyl-1,3-Dihydroxy-Hexyl] 1,3-Dioxoisobenzofuran-5-Carboxylate
[CAS# 71550-38-4]

Identification

• Name: [(1S,2R,3R)-2-Ethyl-1,3-Dihydroxy-Hexyl] 1,3-Dioxoisobenzofuran-5-Carboxylate
• Synonyms: [(1S,2R,3R)-2-Ethyl-1,3-Dihydroxy-Hexyl] 1,3-Dioxoisobenzofuran-5-Carboxylate; 1,3-Dioxo-5-Isobenzofurancarboxylic Acid [(1S,2R,3R)-2-Ethyl-1,3-Dihydroxyhexyl] Ester; 1,3-Diketoisobenzofuran-5-Carboxylic Acid [(1S,2R,3R)-2-Ethyl-1,3-Dihydroxy-Hexyl] Ester
• Molecular Formula: C₁₇H₂₀O₇
• Molecular Weight: 336.34
• CAS Registry Number: 71550-38-4
• SMILES: [C@H](OC(=O)C1=CC=C2C(=C1)C(OC2=O)=O)([C@@H]([C@@H](CCC)O)CC)O
• InChI: 1S/C17H20O7/c1-3-5-13(18)10(4-2)15(20)23-14(19)9-6-7-11-12(8-9)17(22)24-16(11)21/h6-8,10,13,15,18,20H,3-5H2,1-2H3/t10-,13-,15+/m1/s1
• InChIKey: VIQQIGYPXFBCKB-YVLXSGLVSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 547.836°C at 760 mmHg (Cal.)
• Flash point: 199.076°C (Cal.)