4-(4-Hydroxy-3-Methoxyphenyl)-3-Buten-2-One
[CAS# 1080-12-2]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Ketone fragrance >> Aromatic ketone fragrance
• Name: 4-(4-Hydroxy-3-Methoxyphenyl)-3-Buten-2-One
• Synonyms: (E)-4-(4-Hydroxy-3-Methoxyphenyl)But-3-En-2-One; 4-(4-Hydroxy-3-Methoxy-Phenyl)But-3-En-2-One; (E)-4-(4-Hydroxy-3-Methoxy-Phenyl)But-3-En-2-One
• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.21
• CAS Registry Number: 1080-12-2
• EINECS: 214-096-9
• FEMA: 3738
• SMILES: C1=C(C=CC(=C1OC)O)\C=C\C(C)=O
• InChI: 1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+
• InChIKey: AFWKBSMFXWNGRE-ONEGZZNKSA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Melting point: 129°C (Expl.)
• Boiling point: 348.16°C at 760 mmHg (Cal.)
• Flash point: 136.859°C (Cal.)

References

• (1): S.-F. Wang, L.-J. Zhou and X. Yang. (E)-4-(4-Hydroxy-3-methoxyphenyl)but-3-en-2-one, Acta Cryst. (2006). E62, o871-o872