Compound Summary

General Compound Information


Cumene is an alkylbenzene that is benzene carrying an isopropyl group.
CUMENE;  Isopropylbenzene;  98-82-8;  2-Phenylpropane;  (1-Methylethyl)benzene;
FlavorDB ID
Molecular Weight
Molecular Formula
Openeye Can Smiles
IUPAC Inchikey
Compound Classification
Compound classification information is not available!
Compound Quality
Quality information of this compound is not available!
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
IDENTIFICATION: Cumene is a water insoluble petrochemical used in the manufacture of several chemicals, including phenol and acetone. HUMAN EXPOSURE: In humans, cumene is metabolized primarily to the secondary alcohol. 2-phenyl-2-propranol. This alcohol and its conjugates are readily excreted by humans. No data are available with which to quantify human exposure. It is not possible to assess its potential for carcinogenicity in humans, because long term carcinogenicity studies with the chemical have not been performed. ANIMAL/PLANT STUDIES: Cumene is metabolized primarily to the secondary alcohol, 2-phenyl-2-propanol in animals. This alcohol and its conjugates are readily excreted by rodents. Increases in organ weights, primarily the kidney weughts are the most prominent effects observed in rodents readily exposed to cumene by either the oral or inhalation route. No adverse effects were observed in rat or rabbit fetuses whose mothers had been exposed to cumene during fetal development. Although no multigenerational reproductive studies have been performed using cumene, the rapid metabolism and excretion, coupled with the lack of effects on sperm morphology in a subchronic study, suggest that it has a low potential for reproductive toxicity. Most genotoxicity test data with cumene are negative. Inadequate data, especially measured exposure information, exist to allow a quantitative evaluation of the risk to populations of aquatic ot terrestrial organisms from exposure to cumene. Values indicate a slight potential for bioconcentration in fish. There are no data on the bioaccumulation in fish.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)
Receptor information of this compound is not available!
Consensus Spectra
Spectrum Type Spectrum View Description Polarity
Experimental GCMS view GCMS positive