1,3-Benzodioxol-5-Yl(Phenyl)Methanone
[CAS# 54225-86-4]

Identification

• Name: 1,3-Benzodioxol-5-Yl(Phenyl)Methanone
• Synonyms: 1,3-Benzodioxol-5-yl(phenyl)methanone #; 3,4-Methylenedioxybnezophenone; methanone, 1,3-benzodioxol-5-ylphenyl-
• Molecular Formula: C₁₄H₁₀O₃
• Molecular Weight: 226.23
• CAS Registry Number: 54225-86-4
• SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)C3=CC=CC=C3
• InChI: 1S/C14H10O3/c15-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)17-9-16-12/h1-8H,9H2
• InChIKey: PXAFOQOPSOGIFE-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 377.7±31.0°C at 760 mmHg (Cal.)
• Flash point: 173.7±11.3°C (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Fu Ying, Yang Yanshou, Hügel Helmut M., Du Zhengyin, Wang Kehu, Huang Danfeng, Hu Yulai. Tandem nucleophilic addition–Oppenauer oxidation of aromatic aldehydes to aryl ketones with triorganoaluminium reagents, Organic & Biomolecular Chemistry, 2013