4-Allyl 1-Ethyl (3S)-2-Cyano-3-Methylsuccinate
[CAS# 454685-95-1]

Identification

• Name: 4-Allyl 1-Ethyl (3S)-2-Cyano-3-Methylsuccinate
• Synonyms: (2S)-1-allyl 4-ethyl 3-cyano-2-methylsuccinate
• Molecular Formula: C₁₁H₁₅NO₄
• Molecular Weight: 225.24
• CAS Registry Number: 454685-95-1
• SMILES: CCOC(=O)C(C#N)[C@H](C)C(=O)OCC=C
• InChI: 1S/C11H15NO4/c1-4-6-16-10(13)8(3)9(7-12)11(14)15-5-2/h4,8-9H,1,5-6H2,2-3H3/t8-,9?/m0/s1
• InChIKey: BXYIDXXRCJNSNR-IENPIDJESA-N

Properties

• Density: 1.092g/cm³ (Cal.)
• Boiling point: 337.086°C at 760 mmHg (Cal.)
• Flash point: 146.98°C (Cal.)
• Refractive index: 1.456 (Cal.)