3-(Isobutyrylamino)-4-methylbenzoic acid
[CAS# 915921-46-9]

Identification

• Name: 3-(Isobutyrylamino)-4-methylbenzoic acid
• Synonyms: 3-(Isobutyrylamino)-4-methylbenzoic acid; 3-(isobutyrylamino)-4-methylbenzoicacid; 4-methyl-3-(2-methylpropanoylamino)benzoic acid
• Molecular Formula: C₁₂H₁₅NO₃
• Molecular Weight: 221.25
• CAS Registry Number: 915921-46-9
• SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)C
• InChI: 1S/C12H15NO3/c1-7(2)11(14)13-10-6-9(12(15)16)5-4-8(10)3/h4-7H,1-3H3,(H,13,14)(H,15,16)
• InChIKey: ITNJBNSCALFBTK-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 429.9±33.0°C at 760 mmHg (Cal.)
• Flash point: 213.8±25.4°C (Cal.)
• Refractive index: 1.58 (Cal.)

Safety Data

• Safety Description: IRRITANT