3-[(3,3-Dimethylbutanoyl)amino]-4-methylbenzoic acid
[CAS# 915921-64-1]

Identification

• Name: 3-[(3,3-Dimethylbutanoyl)amino]-4-methylbenzoic acid
• Synonyms: 3-(3,3-dimethylbutanoylamino)-4-methylbenzoic acid; 3-[(3,3-Dimethylbutanoyl)amino]-4-methylbenzoic acid; 3-[(3,3-dimethylbutanoyl)amino]-4-methylbenzoicacid
• Molecular Formula: C₁₄H₁₉NO₃
• Molecular Weight: 249.31
• CAS Registry Number: 915921-64-1
• SMILES: CC1=C(C=C(C=C1)C(=O)O)NC(=O)CC(C)(C)C
• InChI: 1S/C14H19NO3/c1-9-5-6-10(13(17)18)7-11(9)15-12(16)8-14(2,3)4/h5-7H,8H2,1-4H3,(H,15,16)(H,17,18)
• InChIKey: IQZBVCIRKSIHQY-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 441.1±33.0°C at 760 mmHg (Cal.)
• Flash point: 220.6±25.4°C (Cal.)
• Refractive index: 1.565 (Cal.)

Safety Data

• Safety Description: IRRITANT