Synonyms: "methylbenzene", "toluol", "methacide", "methylbenzol", "phenylmethane", "antisal 1a", "toluen"

Source: toluene is added to gasoline, used to produce benzene, and used as a solvent.


IUPAC Name: toluene
CAS Number: 108-88-3
PubChem ID: 1140
Canonical SMILES: CC1=CC=CC=C1

Structural Properties:

Molecular Formula: C7H8
Molecular Weight: 92,1384

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 7


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Toxicological Information

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)


CTD (Comparative Toxicogenomics Database)

IRIS (Integrated Risk Information System)

ITER (International Toxicity Estimates for Risk)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Brown-Woodman PD, Webster WS, Picker K, Huq F. 1994. In vitro assessment of individual and interactive effects of aromatic hydrocarbons on embryonic development of the rat. Reprod Toxicol 8(2):121-135.
Ono A, Sekita K, Ogawa Y, Hirose A, Suzuki S, Saito M, Naito K, Kaneko T, Furuya T, Kawashima K, Yasuhara K, Matsumoto K, Tanaka S, Inoue T, Kurokawa Y. 1996. Reproductive and developmental toxicity studies of toluene. II. Effects of inhalation exposure on fertility in rats. Journal of Environmental Pathology, Toxicology & Oncology 15(1):9-20.

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