Compound Summary

General Compound Information

methyl benzoate

Description
Methyl benzoate is a benzoate ester obtained by condensation of benzoic acid and methanol. It has a role as a metabolite and an insect attractant. It is a benzoate ester and a methyl ester.
Synonyms
METHYL BENZOATE;  93-58-3;  Methylbenzoate;  Benzoic acid, methyl ester;  benzoic acid methyl ester;
FlavorDB ID
2541
PUBCHEM ID
Molecular Weight
136.15
Molecular Formula
C8H8O2
Openeye Can Smiles
COC(=O)C1=CC=CC=C1
IUPAC Inchikey
QPJVMBTYPHYUOC-UHFFFAOYSA-N
Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
smell violet-like, flowery 5.362e-1 µmol/L guava details
smell violet-like, floral 5.362e-1 µmol/L andes berry details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
IDENTIFICATION AND USE: Methyl benzoate is a colorless, transparent liquid. It is used in perfumery, as a solvent for cellulose esters and ethers, resins, rubber, and as a flavoring. It is also used as a dye carrier for dyeing polyester fibers, additive for disinfectants, soy sauce, and pesticides. Methyl benzoate is an intermediate in the production of other benzoic esters.
HUMAN EXPOSURE AND TOXICITY: Humans using methyl benzoate have experienced irritation to the skin, eyes, mucous membranes, and upper respiratory tract. Inhalation can cause coughing and wheezing. Swallowing the liquid may cause chemical pneumonia. A maximization test was carried out on 25 volunteers. Methyl benzoate was tested at a concentration of 4% in petrolatum and produced no sensitization reactions. Generally, methyl benzoate is of low to moderate toxicity by ingestion and inhalation.
ANIMAL STUDIES: Sublethal doses of methyl benzoate have been reported to increase leucocyte, erythrocyte, and reticulocyte counts and prothrombin time, and in a dose of 500 mg/kg, to reduce cholinesterase activity and ascorbic acid levels. Chronic admin of high doses resulted in damage to the central nervous system. In nonoccluded skin irritation test carried out on clipped rabbits, no signs of erythema were observed in any of the animals (14/14), 4 and 24 hr after the application of 0.5 mL undiluted methyl benzoate. Very slight erythema was observed in the remaining (12/12) rabbits 24 hr after a second application. Redness increased with successive treatments. Moderate to severe edema was observed in animals (4/4) receiving 6 applications. Methyl benzoate received a score of 1 (out of 10) in a rabbit corneal necrosis test, indicating that it causes minimal eye injury. In an Ames test using Salmonella typhimurium (TA97, TA98, TA100, TA1535, and TA 1537), methyl benzoate (6666 ug/plate) was not mutagenic with or without metabolic activation.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)
Food Additive Safety (OFAS)
METHYL BENZOATE is used for ANTIMICROBIAL AGENT, 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: Methyl benzoate
Receptors
Receptor information of this compound is not available!
Consensus Spectra
Spectrum Type Spectrum View Description Polarity
Experimental GCMS view GCMS positive