3-Methyl-Benzoic Acid 1,1'-Anhydride
[CAS# 21436-44-2]

Identification

• Name: 3-Methyl-Benzoic Acid 1,1'-Anhydride
• Synonyms: 3-Methylbenzoic Acid [(3-Methylphenyl)-Oxomethyl] Ester; 3-Methylbenzoic Acid (3-Methylbenzoyl) Ester; (3-Methylphenyl)Carbonyl 3-Methylbenzoate
• Molecular Formula: C₁₆H₁₄O₃
• Molecular Weight: 254.28
• CAS Registry Number: 21436-44-2
• SMILES: C1=C(C=CC=C1C(OC(C2=CC(=CC=C2)C)=O)=O)C
• InChI: 1S/C16H14O3/c1-11-5-3-7-13(9-11)15(17)19-16(18)14-8-4-6-12(2)10-14/h3-10H,1-2H3
• InChIKey: DGZSQLHPEZFGSI-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Melting point: 66-70°C (Expl.)
• Boiling point: 414.4±34.0°C at 760 mmHg (Cal.)
• Flash point: 197.7±22.9°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin