3-Methylbutyl 3-Methylbenzoate
[CAS# 6640-76-2]

Identification

• Name: 3-Methylbutyl 3-Methylbenzoate
• Synonyms: Isopentyl 3-Methylbenzoate; 3-Methylbenzoic Acid Isopentyl Ester; 3-Methylbenzoic Acid Isoamyl Ester
• Molecular Formula: C₁₃H₁₈O₂
• Molecular Weight: 206.28
• CAS Registry Number: 6640-76-2
• SMILES: C1=CC=C(C)C=C1C(OCCC(C)C)=O
• InChI: 1S/C13H18O2/c1-10(2)7-8-15-13(14)12-6-4-5-11(3)9-12/h4-6,9-10H,7-8H2,1-3H3
• InChIKey: LWJZTQRODMEFPX-UHFFFAOYSA-N

Properties

• Density: 0.982g/cm³ (Cal.)
• Boiling point: 282.983°C at 760 mmHg (Cal.)
• Flash point: 125.359°C (Cal.)