1-(2,4,6-Trihydroxyphenyl)ethanone
[CAS# 67471-34-5]

Identification

• Name: 1-(2,4,6-Trihydroxyphenyl)ethanone
• Synonyms: 1-(2,4, 6-Trihydroxyphenyl)ethanone; 1-(2,4,6-trihydroxyphenyl)ethan-1-one; 1-(2,4,6-Trihydroxyphenyl)ethan-1-one, 2-Acetylbenzene-1,3,5-triol
• Molecular Formula: C₈H₈O₄
• Molecular Weight: 168.15
• CAS Registry Number: 67471-34-5
• SMILES: CC(=O)C1=C(C=C(C=C1O)O)O
• InChI: 1S/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H3
• InChIKey: XLEYFDVVXLMULC-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 215°C (Expl.)
• Boiling point: 333.2±22.0°C at 760 mmHg (Cal.)
• Flash point: 169.5±18.8°C (Cal.)

Safety Data

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

References

• (1): Konstantin Barylyuk, Lukas Fritsche, Roman M. Balabin, Robert Nieckarz and Renato Zenobi. Gas-phase basicity of several common MALDI matrices measured by a simple experimental approach, RSC Advances, 2012, 2, 1962.