(3E)-4-(3,4-Dihydroxyphenyl)-3-Buten-2-One
[CAS# 123694-03-1]

Identification

• Name: (3E)-4-(3,4-Dihydroxyphenyl)-3-Buten-2-One
• Synonyms: (E)-3,4-Dihydroxybenzylideneacetone; (E)-3,4-Dihydroxybenzylideneacetone, 97%; (E)-4-(3,4-Dihydroxyphenyl)-3-buten-2-one
• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.18
• CAS Registry Number: 123694-03-1
• SMILES: CC(=O)/C=C/C1=CC(=C(C=C1)O)O
• InChI: 1S/C10H10O3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h2-6,12-13H,1H3/b3-2+
• InChIKey: YIFZKRGUGKLILR-NSCUHMNNSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 173-175°C (Expl.)
• Boiling point: 382.5±32.0°C at 760 mmHg (Cal.)
• Flash point: 199.3±21.6°C (Cal.)
• Refractive index: 1.637 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X