Compound Summary

General Compound Information

1-butanol

Description
Butan-1-ol is a primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. It has a role as a protic solvent, a human metabolite and a mouse metabolite. It is a primary alcohol and an alkyl alcohol.
Synonyms
1-butanol;  Butan-1-ol;  butanol;  n-butanol;  Butyl alcohol;
FlavorDB ID
2487
PUBCHEM ID
263
Molecular Weight
74.12
Molecular Formula
C4H10O
Openeye Can Smiles
CCCCO
IUPAC Inchikey
LRHPLDYGYMQRHN-UHFFFAOYSA-N
Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
smell malty, solvent-like 7.960e+0 µmol/L details
smell malty, solvent-like 5.801e+1 µmol/L details
smell pungent, solvent-like, fruity 4.533e-3 µmol/L details
smell malty 7.960e+0 µmol/L jackfruit pulp details
smell malty 7.960e+0 µmol/L cempedak details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
IDENTIFICATION: n-Butyl Alcohol (BA) is an aliphatic alcohol with a rancid sweet odor, that is liquid at room temperature. n-Butyl Alcohol has numerous applications in the plastics and textile sector. It is ofen used as an industrial intermediate, converted into derivatives including butyl acetate and other butyl esters, which serve as solvents or monomer components in the production of artificial leather, textiles, safety glass, rubber cement, shellac, raincoats, photographic films, or perfumes. n-Butyl Alcohol can also be used directly as a solvent for paints, lacquers and varnishes, natural and synthetic resins, gums, vegetable oils, dyes and alkaloids. It is historically used as a solvent in nail care cosmetic products, and is also being used at low concentrations in eye makeup, personal hygiene, and shaving cosmetic products. n-Butyl Alcohol has been generally recognized as safe for use as a flavoring substance in food and appears on the 1982 Food and Drug Administration (FDA) list of inactive ingredients for approved prescription drug products.
HUMAN EXPOSURE AND TOXICITY: Human exposure to n-butyl alcohol may occur in the workplace during manufacture and industrial/commercial use, and during consumer use of products containing n-butyl alcohol. Workers complained of ocular irritation, disagreeable odor, slight headache and vertigo, slight irritation of nose and throat, and dermatitis of the fingers and hands when the air concentration of n-Butyl Alcohol was greater than 50 ppm. Short term inhalation of n-butanol also produces a variety of CNS effects, including giddiness, ataxia, confusion, delirium, and possible coma. In high concentration in the air it can cause transient mild edema of conjunctiva of the eye, and a slightly reduced erythrocyte count. Inhalation toxicity studies in humans demonstrate sensory irritation of the upper respiratory tract, but only at levels above 3000 mg/cu m. n-Butyl Alcohol ingestion may result in vomiting, abdominal pain, headache, drowsiness and unconsciousness. Nail enamel containing 3% n-Butyl Alcohol resulted in no reactions.
ANIMAL STUDIES: Animal studies demonstrate intoxication, restlessness, ataxia, prostration, and narcosis with exposure to n-butyl alcohol. High concentrations of n-Butyl Alcohol vapors can be fatal. Ocular irritation was observed for n-Butyl alcohol at 0.005 mL of a 40% solution. The behavioral no-effect dose for n-Butyl Alcohol injected subcutaneously (s.c.) was 120 mg/kg. Fetotoxicity has been demonstrated, but only at maternally toxic levels (1000 mg/kg). No significant behavioral or neurochemical effects were seen in offspring following either maternal or paternal exposure to 3000 or 6000 ppm. n-Butyl Alcohol was not mutagenic in the Ames tests and did not have any chromosome-damaging effects in a mouse micronucleus test.
ECOTOXICITY STUDIES: BA exhibits low toxicity to fish, amphibians and aquatic invertebrates, plants, algae, bacteria and protozoans. However, some algal species are sensitive to BA. Acute toxicity to aquatic life may occur at concentrations greater than 500 mg/L.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)
Food Additive Safety (OFAS)
BUTYL ALCOHOL is used for FLAVORING AGENT OR ADJUVANT, SOLVENT OR VEHICLE. More food additive safty information please view GRAS report.
Receptors
Receptor information of this compound is not available!
Consensus Spectra
Spectrum Type Spectrum View Description Polarity
Experimental GCMS view GCMS positive