2-(2-Carboxyethyl)-4-methyl-5-propyl-3-furoic acid
[CAS 86879-39-2]

Identification

• Name: 2-(2-Carboxyethyl)-4-methyl-5-propyl-3-furoic acid
• Synonyms: 2-Furanpropanoic acid, 3-carboxy-4-methyl-5-propyl-, (2S-(2α,3β,4aα,12bα))-; 2-furanpropionic acid, 3-carboxy-4-methyl-5-propyl-; 3-carboxy-4-methyl-5-propyl-2-furanpropanoate
• Molecular Formula: C₁₂H₁₆O₅
• Molecular Weight: 240.25
• CAS Registry Number: 86879-39-2
• SMILES: CCCC1=C(C(=C(O1)CCC(=O)O)C(=O)O)C
• InChI: 1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)
• InChIKey: WMCQWXZMVIETAO-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 404.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 198.1±28.7°C (Cal.)