Butyl 2-Hydroxy-5-Methyl-4-Oxohepta-2,5-Dienoate
[CAS# 85237-84-9]

Identification

• Name: Butyl 2-Hydroxy-5-Methyl-4-Oxohepta-2,5-Dienoate
• Synonyms: Butyl (3Z,5E)-4-Hydroxy-5-Methyl-2-Oxo-Hepta-3,5-Dienoate; (3Z,5E)-4-Hydroxy-5-Methyl-2-Oxohepta-3,5-Dienoic Acid Butyl Ester; (3Z,5E)-4-Hydroxy-2-Keto-5-Methyl-Hepta-3,5-Dienoic Acid Butyl Ester
• Molecular Formula: C₁₂H₁₈O₄
• Molecular Weight: 226.27
• CAS Registry Number: 85237-84-9
• EINECS: 286-446-9
• SMILES: C(CC)COC(=O)C(=O)\C=C(O)\C(C)=C\C
• InChI: 1S/C12H18O4/c1-4-6-7-16-12(15)11(14)8-10(13)9(3)5-2/h5,8,13H,4,6-7H2,1-3H3/b9-5+,10-8-
• InChIKey: YSXMRHFZGXXVST-SXIMUEDZSA-N

Properties

• Density: 1.07g/cm³ (Cal.)
• Boiling point: 333.648°C at 760 mmHg (Cal.)
• Flash point: 120.142°C (Cal.)