FComEx: Benzene (PC000636)

Record Information

Version

1.0

Creation date

2015-10-09 22:31:40 UTC

Update date

2017-01-19 02:36:31 UTC

FoodComEx ID

PC000636

FoodDB Record

FDB012843

Chemical Information

Name

Benzene

Description

Benzene is a colorless, highly flammable liquid with a characteristic sweet smell. It is partially responsible for the characteristic aroma around gasoline stations. Benzene is used primarily as a precursor to the manufacture of chemicals with more complex structure, such as ethylbenzene and cumene. Benzene has a high-octane number and as a result benzene along with various aromatic derivatives like toluene and xylene typically comprise up to 25% of gasoline. Exposure to gasoline or to plant combustion products is the most frequent reason for benzene to be detected in living organisms. Outdoor air frequently contains low levels of benzene from car service stations, wood smoke, tobacco smoke, the transfer of gasoline, exhaust from motor vehicles, and industrial emissions. Low levels of benzene appear to exist and to be produced naturally in all living organisms, ranging from bacteria to plants to humans. Benzene can be produced naturally through spontaneous reactions in cells, in biofluids and in fruits or juices. In particular, benzoic acid and ascorbic acid (Vitamin C) in the presence of iron or copper ions can interact to produce benzene (PMID: 26904662). Benzene has been found in a number of processed foods and plants, with the highest concentration being in safflowers. Benzene has also been detected, but not quantified in other plant foods, such as common beans, guava, and lovages. Benzene is a known human carcinogen and is classified by IARC (International Agency for Research on Cancer) as a class I (most serious) carcinogen. Benzene is also a notorious cause of bone marrow failure. Substantial quantities of epidemiologic, clinical, and laboratory data link benzene to aplastic anemia, acute leukemia, bone marrow abnormalities and cardiovascular disease (PMID: 20070208; PMID: 24932584). Human exposure to benzene is a global health problem. Benzene targets the liver, kidney, lung, heart and brain and can cause DNA strand breaks and chromosomal damage.

CAS Number

71-43-2

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
(6)Annulene	HMDB
[6]Annulene	db_source
{[6]annulene}	HMDB
Annulene	HMDB
Aromatic alkane	HMDB
Benzeen	HMDB
Benzen	ChEBI
Benzin	HMDB
Benzine	ChEBI
Benzinum	HMDB
Benzol	ChEBI
Benzol 90	HMDB
Benzole	ChEBI
Benzolene	HMDB
Benzolo	HMDB
Benzolum	HMDB
Bicarburet OF hydrogen	ChEBI
BNZ	HMDB
Carbon oil	HMDB
Coal naphtha	ChEBI
Cyclohexatriene	db_source
Fenzen	HMDB
Mineral naphtha	ChEBI
Motor benzol	HMDB
Phene	ChEBI
Phenyl hydride	ChEBI
Polystream	HMDB
Pyrobenzol	ChEBI
Pyrobenzole	ChEBI
RNG	HMDB

Chemical Formula

C6H6

IUPAC name

benzene

InChI Identifier

InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H

InChI Key

UHOVQNZJYSORNB-UHFFFAOYSA-N

Isomeric SMILES

C1=CC=CC=C1

Average Molecular Weight

78.1118

Monoisotopic Molecular Weight

78.046950192

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Not Available

Direct Parent

Benzene and substituted derivatives

Alternative Parents

Substituents