CHEBI:16716 - benzene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benzene
Definition A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised π system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41187, CHEBI:3025, CHEBI:13876, CHEBI:22703
Supplier Information
Download Molfile XML SDF
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C6H6
Net Charge 0
Average Mass 78.11184
Monoisotopic Mass 78.04695
InChI InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
SMILES c1ccccc1
Roles Classification
Chemical Role(s): non-polar solvent

environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Application(s): non-polar solvent

View more via ChEBI Ontology
ChEBI Ontology
Outgoing benzene (CHEBI:16716) has role carcinogenic agent (CHEBI:50903)
benzene (CHEBI:16716) has role environmental contaminant (CHEBI:78298)
benzene (CHEBI:16716) has role non-polar solvent (CHEBI:48355)
benzene (CHEBI:16716) is a aromatic annulene (CHEBI:33842)
benzene (CHEBI:16716) is a benzenes (CHEBI:22712)
benzene (CHEBI:16716) is a volatile organic compound (CHEBI:134179)
Incoming 3-phenylpropanal (CHEBI:39940) has functional parent benzene (CHEBI:16716)
nitrosobenzene (CHEBI:27986) has functional parent benzene (CHEBI:16716)
1,2-phenylenediamine (CHEBI:34043) has parent hydride benzene (CHEBI:16716)
alkylbenzene (CHEBI:38976) has parent hydride benzene (CHEBI:16716)
Synonyms Sources
[6]annulene NIST Chemistry WebBook
Benzen IUPAC
benzene UniProt
benzène ChEBI
Benzine UM-BBD
Benzol ChemIDplus
benzole NIST Chemistry WebBook
Bicarburet of hydrogen ChemIDplus
Coal naphtha ChemIDplus
cyclohexatriene UM-BBD
Mineral naphtha ChemIDplus
Phene ChemIDplus
phenyl hydride UM-BBD
Pyrobenzol ChemIDplus
Pyrobenzole ChemIDplus
Manual Xrefs Databases
Benzene Wikipedia
c0142 UM-BBD
HMDB0001505 HMDB
View more database links
Registry Numbers Types Sources
1671 Gmelin Registry Number Gmelin
71-43-2 CAS Registry Number KEGG COMPOUND
71-43-2 CAS Registry Number ChemIDplus
71-43-2 CAS Registry Number NIST Chemistry WebBook
969212 Beilstein Registry Number Beilstein
969212 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11684179 PubMed citation Europe PMC
11993966 PubMed citation Europe PMC
12857942 PubMed citation Europe PMC
14677922 PubMed citation Europe PMC
15468289 PubMed citation Europe PMC
15935818 PubMed citation Europe PMC
16161967 PubMed citation Europe PMC
17373369 PubMed citation Europe PMC
18072742 PubMed citation Europe PMC
18407866 PubMed citation Europe PMC
18409691 PubMed citation Europe PMC
18836923 PubMed citation Europe PMC
19228219 PubMed citation Europe PMC
21325737 PubMed citation Europe PMC
23088855 PubMed citation Europe PMC
23222815 PubMed citation Europe PMC
23534829 PubMed citation Europe PMC
6353911 PubMed citation Europe PMC
8124204 PubMed citation Europe PMC
Last Modified
24 May 2023