Lyoniol-A
[CAS# 31136-61-5]

Identification

• Name: Lyoniol-A
• Synonyms: ETHYL PROP-2-ENOATE; METHYL 2-METHYLPROP-2-ENOATE; 2-METHYLPROP-2-ENOIC ACID; PROP-2-ENENITRILE
• Molecular Formula: C₁₇H₂₅NO₆
• Molecular Weight: 339.38
• CAS Registry Number: 31136-61-5
• SMILES: O=C(OC)\C(=C)C.N#C\C=C.O=C(OCC)\C=C.O=C(O)\C(=C)C
• InChI: 1S/2C5H8O2.C4H6O2.C3H3N/c1-4(2)5(6)7-3;1-3-5(6)7-4-2;1-3(2)4(5)6;1-2-3-4/h1H2,2-3H3;3H,1,4H2,2H3;1H2,2H3,(H,5,6);2H,1H2
• InChIKey: VUBDYBBQEWYNCR-UHFFFAOYSA-N

Properties

• Boiling point: 99.5°C at 760 mmHg (Cal.)
• Flash point: 15.6°C (Cal.)