CHEBI:8082 - phenyl acetate

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ChEBI Name phenyl acetate ChEBI ID CHEBI:8082 Definition An acetate ester obtained by the formal condensation of phenol with acetic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ZINC000030724312 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Phenyl acetate is the ester of phenol and acetic acid. It can be produced by reacting phenol with acetic anhydride or acetyl chloride. Phenyl acetate can be separated into phenol and an acetate salt, via saponification: heating the phenyl acetate with a strong base, such as sodium hydroxide, will produce phenol and an acetate salt (sodium acetate, if sodium hydroxide were used). Read full article at Wikipedia Formula C8H8O2 Net Charge 0 Average Mass 136.14792 Monoisotopic Mass 136.05243 InChI InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3 InChIKey IPBVNPXQWQGGJP-UHFFFAOYSA-N SMILES CC(=O)Oc1ccccc1 ChEBI Ontology Outgoing phenyl acetate (CHEBI:8082) has functional parent phenol (CHEBI:15882) phenyl acetate (CHEBI:8082) is a benzenes (CHEBI:22712) phenyl acetate (CHEBI:8082) is a phenyl acetates (CHEBI:140310) Incoming 2,6-dimethoxyphenol acetate (CHEBI:86539) has functional parent phenyl acetate (CHEBI:8082) IUPAC Name phenyl acetate Synonyms Sources Acetic acid,phenyl ester KEGG COMPOUND Acetylphenol KEGG COMPOUND Phenol acetate ChemIDplus phenyl acetate UniProt Phenyl acetate KEGG COMPOUND Manual Xrefs Databases C00548 KEGG COMPOUND C15583 KEGG COMPOUND Phenyl_acetate Wikipedia View more database links Registry Numbers Types Sources 122-79-2 CAS Registry Number KEGG COMPOUND 122-79-2 CAS Registry Number NIST Chemistry WebBook 636458 Reaxys Registry Number Reaxys Citation Last Modified 03 April 2018