(2S)-4-Methylidene-5-Oxo-2-Pentyloxolane-3-Carboxylic Acid
[CAS# 112923-53-2]

Identification

• Name: (2S)-4-Methylidene-5-Oxo-2-Pentyloxolane-3-Carboxylic Acid
• Synonyms: (2S)-4-Methylene-5-Oxo-2-Pentyl-Tetrahydrofuran-3-Carboxylic Acid; (2S)-4-Methylene-5-Oxo-2-Pentyl-3-Tetrahydrofurancarboxylic Acid; (2S)-2-Amyl-5-Keto-4-Methylene-Tetrahydrofuran-3-Carboxylic Acid
• Molecular Formula: C₁₁H₁₆O₄
• Molecular Weight: 212.25
• CAS Registry Number: 112923-53-2
• SMILES: [C@H]1(OC(=O)C(C1C(O)=O)=C)CCCCC
• InChI: 1S/C11H16O4/c1-3-4-5-6-8-9(10(12)13)7(2)11(14)15-8/h8-9H,2-6H2,1H3,(H,12,13)/t8-,9?/m0/s1
• InChIKey: YZCRACGZKLIGLZ-IENPIDJESA-N

Properties

• Density: 1.141g/cm³ (Cal.)
• Boiling point: 401.563°C at 760 mmHg (Cal.)
• Flash point: 157.021°C (Cal.)