m-Toluylic Acid, 2-Butyl Ester
[CAS# 5448-57-7]

Identification

• Name: m-Toluylic Acid, 2-Butyl Ester
• Synonyms: Sec-Butyl 3-Methylbenzoate; 3-Methylbenzoic Acid Sec-Butyl Ester; M-Toluic Acid, 2-Butyl Ester
• Molecular Formula: C₁₂H₁₆O₂
• Molecular Weight: 192.26
• CAS Registry Number: 5448-57-7
• SMILES: C1=CC=C(C)C=C1C(OC(CC)C)=O
• InChI: 1S/C12H16O2/c1-4-10(3)14-12(13)11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3
• InChIKey: PMXIMCBOCREIJN-UHFFFAOYSA-N

Properties

• Density: 0.994g/cm³ (Cal.)
• Boiling point: 265.201°C at 760 mmHg (Cal.)
• Flash point: 116.673°C (Cal.)