CAS 614-32-4
:Benzoic acid, 3-methylphenyl ester
Description:
Benzoic acid, 3-methylphenyl ester, also known as 3-methylbenzoate, is an aromatic ester characterized by its structure, which consists of a benzoic acid moiety linked to a 3-methylphenyl group. This compound typically appears as a colorless to pale yellow liquid with a pleasant, fruity odor. It is moderately soluble in water but more soluble in organic solvents such as ethanol and ether. The compound exhibits typical ester reactivity, including hydrolysis in the presence of acids or bases, leading to the formation of benzoic acid and 3-methylphenol. Its melting and boiling points are influenced by the molecular interactions and the presence of the aromatic rings. Benzoic acid, 3-methylphenyl ester is used in various applications, including as a flavoring agent, fragrance component, and in organic synthesis. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes. Proper storage in a cool, dry place away from incompatible substances is recommended to maintain its stability.
Formula:C14H12O2
InChI:InChI=1S/C14H12O2/c1-11-6-5-9-13(10-11)16-14(15)12-7-3-2-4-8-12/h2-10H,1H3
InChI key:InChIKey=XYKFCIJKMCQULO-UHFFFAOYSA-N
SMILES:C(OC1=CC(C)=CC=C1)(=O)C2=CC=CC=C2
Synonyms:- Cresentyl
- m-Cresol benzoate
- 3-Methylphenyl benzoate
- Benzoic acid, m-tolyl ester
- Benzoic acid, 3-methylphenyl ester
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