Ethyl 5-(2-Methylphenyl)-5-Oxopentanoate
[CAS# 100972-13-2]

Identification

• Name: Ethyl 5-(2-Methylphenyl)-5-Oxopentanoate
• Synonyms: Ethyl 5-(2-methylphenyl)-5-oxovalerate; MFCD01320209
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29
• CAS Registry Number: 100972-13-2
• SMILES: O=C(CCCC(=O)OCC)c1ccccc1C
• InChI: 1S/C14H18O3/c1-3-17-14(16)10-6-9-13(15)12-8-5-4-7-11(12)2/h4-5,7-8H,3,6,9-10H2,1-2H3
• InChIKey: YKQSQPIRAFTQAC-UHFFFAOYSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 353.688°C at 760 mmHg (Cal.)
• Flash point: 154.642°C (Cal.)
• Refractive index: 1.503 (Cal.)

Safety Data

• Safety Description: IRRITANT, FLAMMABLE