4-Methyl-3-[(3-methylbutanoyl)amino]benzoic acid
[CAS# 915923-60-3]

Identification

• Name: 4-Methyl-3-[(3-methylbutanoyl)amino]benzoic acid
• Synonyms: 4-methyl-3-(3-methylbutanoylamino)benzoic acid; 4-Methyl-3-[(3-methylbutanoyl)amino]benzoic acid; 4-methyl-3-[(3-methylbutanoyl)amino]benzoicacid
• Molecular Formula: C₁₃H₁₇NO₃
• Molecular Weight: 235.28
• CAS Registry Number: 915923-60-3
• SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=O)CC(C)C
• InChI: 1S/C13H17NO3/c1-8(2)6-12(15)14-11-7-10(13(16)17)5-4-9(11)3/h4-5,7-8H,6H2,1-3H3,(H,14,15)(H,16,17)
• InChIKey: ZZUQMZLGKVBIQM-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 438.4±33.0°C at 760 mmHg (Cal.)
• Flash point: 219.0±25.4°C (Cal.)
• Refractive index: 1.571 (Cal.)

Safety Data

• Safety Description: IRRITANT