Compound Summary

General Compound Information

acetic acid

Description
Acetic acid is a simple monocarboxylic acid containing two carbons. It has a role as a protic solvent, a food acidity regulator, an antimicrobial food preservative and a Daphnia magna metabolite. It is a conjugate acid of an acetate.
Synonyms
acetic acid;  ethanoic acid;  64-19-7;  Glacial acetic acid;  Ethylic acid;
FlavorDB ID
125
PUBCHEM ID
176
Molecular Weight
60.05
Molecular Formula
C2H4O2
Openeye Can Smiles
CC(=O)O
IUPAC Inchikey
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
taste sour 1.990e+4 µmol/L black tea details
taste sour 2.000e+3 µmol/L morel mushrooms details
smell vingar-like 5.600e+3 µmol/L details
taste sour 2.000e+3 µmol/L crustaceans details
taste sour 1.990e+3 µmol/L red wine details
taste sour 2.000e+3 µmol/L cocoa nibs details
taste sour 6.478e+3 µmol/L whisky details
taste sour 1.988e+3 µmol/L whisky details
taste sour 1.990e+4 µmol/L details
taste sour 1.990e+4 µmol/L black tea details
taste sour 2.000e+3 µmol/L morel mushrooms details
smell vinegar-like, sour 9.992e-4 µmol/L wine details
smell vinegar-like 5.362e+0 µmol/L pumpkin seed oil details
smell vinegar-like 9.326e+1 µmol/L details
smell vinegar-like 9.326e+1 µmol/L mango details
smell vinegar-like 1.500e+3 µg/kg orange juice details
smell 3.000e+4 µg/kg gluten-free rice breadwheat bread details
smell vinegar-like 9.326e+1 µmol/L jackfruit pulp details
smell vinegar-like 3.000e+4 µg/kg pretzel details
smell vinegar-like 9.326e+1 µmol/L cempedak details
smell vinegar-like 9.326e+1 µmol/L barley tea details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
IDENTIFICATION AND USE: Acetic acid is a colorless liquid or solid, having a pungent characteristic odor, and when diluted in water an acidic taste. Glacial acetic acid is a 99% active chemical. It is used as an acidifier, flavoring agent, for the prevention of rope in baking, and as a solvent. Acetic acid is used as a laboratory reagent in chemical and biochemical analysis, in field testing of lead fumes, vinyl chloride determination, uric acid in urine, aniline vapors, and separation of gases. In addition, acetic acid is used in pesticide formulations as a herbicide to controls weeds on fruits, vegetables, ornamentals and turf. It is also a component of the hydraulic fracturing fluids preventing precipitation of metal oxides (iron control). Registered for use in the U.S., but approved pesticide uses may change periodically, so federal, state and local authorities must be consulted for currently approved uses. Three to 5% acetic acid is commonly used in the field of gynecology for colposcopic examinations of the cervix. It gives an "acetowhite" effect that may assist clinicians in identifying neoplastic areas.
HUMAN EXPOSURE AND TOXICITY: Acetic acid is absorbed from the gastrointestinal tract and through the lungs and almost completely oxidized by tissues. The metabolic pathways are reasonably well known and involve the formation of ketone bodies. As little as 1.0 mL of glacial acetic acid has resulted in perforation of the esophagus. During acetic acid dialysis, patients showed a frequent onset of sudden hypotension and arrhythmia with concomitant symptoms of the so-called disequilibrium syndrome. Extreme eye and nasal irritation has occurred at concentrations in excess of 25 ppm and conjunctivitis from concentrations below 10 ppm has been reported. Glacial acetic acid has caused permanent corneal opacification. Ingestion of 200 mL of an 80% solution of acetic acid caused repeated shock due to myocardial infarction and massive intestinal bleeding led to an organic brain psychosyndrome. The patient survived the intoxication by use of hemodialysis and intensive care therapy. An excess of prostate cancer was observed among former chemical plant workers, some of whom had been exposed to both acetic acid and acetic anhydride.
ANIMAL STUDIES: Toxic effects of acetic acid are due to irritant properties as well as its effect on the central nervous system and kidneys. Large oral doses cause CNS depression and death in rats and mice. Inhalation of 16,000 ppm killed 1 of 6 exposed rats. Groups of 3-6 rats were given acetic acid in drinking water for periods from 9-15 weeks. Fluid uptake was the same in all treatment groups, at the high dose group there was a progressive reduction in body weight gain, loss of appetite and fall in food consumption. Four groups of two young pigs were fed daily diets for successive 30 day periods for a total of 150 days. There were differences in growth rate, weight gain, early morning urinary ammonia and terminal blood pH between controls and test groups. Acetic acid had no effects on implantation or on maternal or fetal survival in rats, mice or rabbits dosed via gavage during gestation days 6-19 at doses up to 1600 mg/kg/day. The number of abnormalities seen in either soft or skeletal tissues of the test groups did not differ from the number occurring in the controls. Acetic acid has shown no evidence of mutagenic activity with or without metabolic activation using several strains of Salmonella typhimurium. Acetic acid did not show clastogenicity on cultured Chinese hamster ovary K1 cells at neutral pH, but it was clastogenic at pH 5.2 to 6.0 with or without metabolic activation.
ECOTOXITY STUDIES: Acetic acid was harmful to aquatic life. High concentrations produced pH levels toxic to oxidizing bacteria, inhibiting oxygen demand. It was lethal to Mosquito fish: at 320 ppm and higher all fish were dead at 24 hours.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)
Food Additive Safety (OFAS)
ACETIC ACID is used for ANTIMICROBIAL AGENT, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, PH CONTROL AGENT. More food additive safty information please view GRAS report.
EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Acetic 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