1-(2,4-Dihydroxyphenyl)-2-(4-Hydroxyphenyl)Propan-1-One
[CAS# 21255-69-6]

Identification

• Name: 1-(2,4-Dihydroxyphenyl)-2-(4-Hydroxyphenyl)Propan-1-One
• Synonyms: 1-Propanone, 1-(2,4-Dihydroxyphenyl)-2-(4-Hydroxyphenyl)-; O-Desmethylangolensin
• Molecular Formula: C₁₅H₁₄O₄
• Molecular Weight: 258.27
• CAS Registry Number: 21255-69-6
• SMILES: C2=C(C(C(C1=CC=C(C=C1)O)C)=O)C(=CC(=C2)O)O
• InChI: 1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3
• InChIKey: JDJPNKPFDDUBFV-UHFFFAOYSA-N

Properties

• Density: 1.33g/cm³ (Cal.)
• Boiling point: 483.317°C at 760 mmHg (Cal.)
• Flash point: 260.207°C (Cal.)

References

• (1): Kristiina Wähälä, Tuija Jokela, Auli Salakka, Seppo Kaltia and Markku Mesilaakso. Regioselectivity of methylation of O-demethylangolensin [1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one]. An expedient synthesis of angolensin, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 642.