(2S,3S,4R)-4-Methyl-5-oxo-2-pentyltetrahydro-3-furancarboxylic acid
[CAS# 807346-05-0]

Identification

• Name: (2S,3S,4R)-4-Methyl-5-oxo-2-pentyltetrahydro-3-furancarboxylic acid
• Synonyms: (2S,3S,4R)-4-methyl-5-oxo-2-pentyltetrahydrofuran-3-carboxylic acid
• Molecular Formula: C₁₁H₁₈O₄
• Molecular Weight: 214.26
• CAS Registry Number: 807346-05-0
• SMILES: O=C1O[C@@H](CCCCC)[C@@H](C(=O)O)[C@H]1C
• InChI: 1S/C11H18O4/c1-3-4-5-6-8-9(10(12)13)7(2)11(14)15-8/h7-9H,3-6H2,1-2H3,(H,12,13)/t7-,8+,9+/m1/s1
• InChIKey: VRNXAQRALVPTGJ-VGMNWLOBSA-N

Properties

• Density: 1.095g/cm³ (Cal.)
• Boiling point: 388.567°C at 760 mmHg (Cal.)
• Flash point: 149.965°C (Cal.)
• Refractive index: 1.466 (Cal.)