(2S,3R,E)-5-Ethylidene-2-Hydroxy-2-Hydroxymethyl-3-Methylhexanedioic Acid
[CAS# 28463-14-1]

Identification

• Name: (2S,3R,E)-5-Ethylidene-2-Hydroxy-2-Hydroxymethyl-3-Methylhexanedioic Acid
• Synonyms: (5E)-5-Ethylidene-2-Hydroxy-2-(Hydroxymethyl)-3-Methyl-Hexanedioic Acid; (5E)-5-Ethylidene-2-Hydroxy-3-Methyl-2-Methylol-Adipic Acid; 5-Ethylidene-2-Hydroxy-2-(Hydroxymethyl)-3-Methylhexanedioic Acid
• Molecular Formula: C₁₀H₁₆O₆
• Molecular Weight: 232.23
• CAS Registry Number: 28463-14-1
• SMILES: C(\C(C(=O)O)=C/C)C(C(C(=O)O)(O)CO)C
• InChI: 1S/C10H16O6/c1-3-7(8(12)13)4-6(2)10(16,5-11)9(14)15/h3,6,11,16H,4-5H2,1-2H3,(H,12,13)(H,14,15)/b7-3+
• InChIKey: WGBRYLLSVMNVMD-XVNBXDOJSA-N

Properties

• Density: 1.352g/cm³ (Cal.)
• Boiling point: 542.805°C at 760 mmHg (Cal.)
• Flash point: 296.144°C (Cal.)