4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid
[CAS# 904797-70-2]

Identification

• Name: 4-[(2-Isopropyl-6-methylphenyl)amino]-4-oxobutanoic acid
• Synonyms: 3-{N-[6-methyl-2-(methylethyl)phenyl]carbamoyl}propanoic acid; 4-[(2-isopropyl-6-methylphenyl)amino]-4-oxobutanoicacid; MFCD06065527
• Molecular Formula: C₁₄H₁₉NO₃
• Molecular Weight: 249.31
• CAS Registry Number: 904797-70-2
• SMILES: CC1=C(C(=CC=C1)C(C)C)NC(=O)CCC(=O)O
• InChI: 1S/C14H19NO3/c1-9(2)11-6-4-5-10(3)14(11)15-12(16)7-8-13(17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18)
• InChIKey: GRCUSKVECIIUGY-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 441.4±40.0°C at 760 mmHg (Cal.)
• Flash point: 220.8±27.3°C (Cal.)
• Refractive index: 1.563 (Cal.)

Safety Data

• Safety Description: IRRITANT