Compound Summary

General Compound Information

phenylacetic acid

Description
Phenylacetic acid is a monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. It has a role as a toxin, a human metabolite, an Escherichia coli metabolite, a plant metabolite, a Saccharomyces cerevisiae metabolite, an EC 6.4.1.1 (pyruvate carboxylase) inhibitor, an Aspergillus metabolite, a plant growth retardant, an allergen and an auxin. It is a monocarboxylic acid, a member of benzenes and a member of phenylacetic acids. It derives from an acetic acid. It is a conjugate acid of a phenylacetate.
Synonyms
PHENYLACETIC ACID;  2-Phenylacetic acid;  Benzeneacetic acid;  103-82-2;  Phenylethanoic acid;
FlavorDB ID
2921
PUBCHEM ID
999
Molecular Weight
136.15
Molecular Formula
C8H8O2
Openeye Can Smiles
C1=CC=C(C=C1)CC(=O)O
IUPAC Inchikey
WLJVXDMOQOGPHL-UHFFFAOYSA-N
Similarity
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Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
smell honey-like, beeswax-like 4.994e-1 µmol/L raw licorice details
smell honey-like, beeswax-like 4.994e-1 µmol/L heated licorice details
smell floral, honey-like 4.994e-1 µmol/L jackfruit pulp details
smell honey-like 1.910e-1 µmol/L red wine details
smell 2.300e+1 µg/kg gluten-free rice breadwheat bread details
smell sweet, honey-like 2.860e+2 µg/kg yeast dumpling details
smell beeswax-like, honey-like 4.994e-1 µmol/L green tea details
smell floral, honey-like 4.994e-1 µmol/L cempedak details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
Acute oral toxicity (LD50): 2250 mg/kg [Mouse].
Source: DrugBank or Hazardous Substances Data Bank (HSDB)
Food Additive Safety (OFAS)
PHENYLACETIC ACID is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.
EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Phenylacetic acid
Receptors
Receptor information of this compound is not available!
Consensus Spectra
Spectrum Type Spectrum View Description Polarity
Experimental GCMS view GCMS positive
Experimental LCMS view LCMS_Positive positive
Experimental LCMS view LCMS_Negative negative