Monocrotalic Acid
[CAS# 26543-09-9]

Identification

• Name: Monocrotalic Acid
• Synonyms: (2R,3R,4S)-3-Hydroxy-2,3,4-Trimethyl-5-Oxo-Tetrahydrofuran-2-Carboxylic Acid; (2R,3R,4S)-3-Hydroxy-2,3,4-Trimethyl-5-Oxo-2-Tetrahydrofurancarboxylic Acid; (2R,3R,4S)-3-Hydroxy-5-Keto-2,3,4-Trimethyl-Tetrahydrofuran-2-Carboxylic Acid
• Molecular Formula: C₈H₁₂O₅
• Molecular Weight: 188.18
• CAS Registry Number: 26543-09-9
• SMILES: [C@]1([C@]([C@@H](C(O1)=O)C)(C)O)(C(O)=O)C
• InChI: 1S/C8H12O5/c1-4-5(9)13-8(3,6(10)11)7(4,2)12/h4,12H,1-3H3,(H,10,11)/t4-,7-,8+/m1/s1
• InChIKey: YTEPYGBARSCSMX-VXFFBNABSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 401.721°C at 760 mmHg (Cal.)
• Flash point: 166.716°C (Cal.)