(4-Methylphenyl)(oxo)acetaldehyde hydrate (1:1)
[CAS# 7466-72-0]

Identification

• Name: (4-Methylphenyl)(oxo)acetaldehyde hydrate (1:1)
• Synonyms: (4-Methylphenyl)(oxo)acetaldehyde hydrate; 2-(4-methylphenyl)-2-oxoethanal, hydrate; 2-Oxo-2-(p-tolyl)acetaldehyde hydrate
• Molecular Formula: C₉H₁₀O₃
• Molecular Weight: 166.17
• CAS Registry Number: 7466-72-0
• SMILES: O.O=C(C=O)c1ccc(C)cc1
• InChI: 1S/C9H8O2.H2O/c1-7-2-4-8(5-3-7)9(11)6-10;/h2-6H,1H3;1H2
• InChIKey: GXHQJKVATXFHBV-UHFFFAOYSA-N

Properties

• Boiling point: 323.2°C at 760 mmHg (Cal.)
• Flash point: 149.3°C (Cal.)

Safety Data

• Safety Description: Irritant