o-Toluylic Acid, 2-Butyl Ester
[CAS# 6297-50-3]

Identification

• Name: o-Toluylic Acid, 2-Butyl Ester
• Synonyms: Sec-Butyl 2-Methylbenzoate; 2-Methylbenzoic Acid Sec-Butyl Ester; Nsc17899
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.26
• CAS Registry Number: 6297-50-3
• SMILES: C1=CC=CC(=C1C(OC(C)CC)=O)C
• InChI: 1S/C12H16O2/c1-4-10(3)14-12(13)11-8-6-5-7-9(11)2/h5-8,10H,4H2,1-3H3
• InChIKey: LVDYTTDHYJGNLQ-UHFFFAOYSA-N

Properties

• Density: 0.994g/cm³ (Cal.)
• Boiling point: 253.34°C at 760 mmHg (Cal.)
• Flash point: 110.799°C (Cal.)