1,3-Benzodioxol-5-yl(oxo)acetaldehyde hydrate (1:1)
[CAS# 65709-23-1]

Identification

• Name: 1,3-Benzodioxol-5-yl(oxo)acetaldehyde hydrate (1:1)
• Synonyms: 2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-oxoethanal, hydrate; 2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoacetaldehyde hydrate; 3,4-(Methylenedioxy)phenylglyoxal hydrate
• Molecular Formula: C₉H₈O₅
• Molecular Weight: 196.16
• CAS Registry Number: 65709-23-1
• SMILES: O=CC(=O)c1ccc2OCOc2c1.O
• InChI: 1S/C9H6O4.H2O/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8;/h1-4H,5H2;1H2
• InChIKey: ZETZLJWJCYEROP-UHFFFAOYSA-N

Properties

• Melting point: 127-131°C (Expl.)
• Boiling point: 396.5°C at 760 mmHg (Cal.)
• Flash point: 193.6°C (Cal.)

Safety Data

• Safety Description: IRRITANT