4-Methylbenzoate
[CAS# 5118-31-0]

Identification

• Name: 4-Methylbenzoate
• Synonyms: Chebi:28856; C0202; Benzoic Acid, 4-Methyl-, Ion(1-)
• Molecular Formula: C₈H₇O₂
• Molecular Weight: 135.14
• CAS Registry Number: 5118-31-0
• SMILES: C1=CC(=CC=C1C)C([O-])=O
• InChI: 1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
• InChIKey: LPNBBFKOUUSUDB-UHFFFAOYSA-M

Properties

• Boiling point: 275.349°C at 760 mmHg (Cal.)
• Flash point: 124.7°C (Cal.)

References

• (1): Yoshio Okamoto and Tomoyuki Ikai. Chiral HPLC for efficient resolution of enantiomers, Chem. Soc. Rev., 2008, 37, 2593.