1.02010-04-08 22:10:23 UTC2020-09-17 15:36:20 UTCFDB012843BenzeneBenzene 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.(6)Annulene[6]Annulene{[6]annulene}AnnuleneAromatic alkaneBenzeenBenzenBenzinBenzineBenzinumBenzolBenzol 90BenzoleBenzoleneBenzoloBenzolumBicarburet OF hydrogenBNZCarbon oilCoal naphthaCyclohexatrieneFenzenMineral naphthaMotor benzolPhenePhenyl hydridePolystreamPyrobenzolPyrobenzoleRNGC6H678.111878.046950192benzenebenzene71-43-2C1=CC=CC=C1InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6HUHOVQNZJYSORNB-UHFFFAOYSA-N 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.Benzene and substituted derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesAromatic homomonocyclic compoundsAromatic hydrocarbonsUnsaturated hydrocarbonsAromatic homomonocyclic compoundAromatic hydrocarbonHydrocarbonMonocyclic benzene moietyUnsaturated hydrocarbonan aromatic compoundaromatic annulenebenzenesLiquidlogp2.03logs-1.85solubility1.11e+00 g/lmelting_pointMp 5.53°logp1.97iupacbenzeneaverage_mass78.1118mono_mass78.046950192smilesC1=CC=CC=C1formulaC6H6inchiInChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6HinchikeyUHOVQNZJYSORNB-UHFFFAOYSA-Npolar_surface_area0refractivity26.06polarizability8.89rotatable_bond_count0acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::EiMs1270Specdb::NmrTwoD1659Specdb::CMs20537Specdb::CMs27186Specdb::CMs27237Specdb::CMs29300Specdb::CMs29985Specdb::CMs99692Specdb::CMs99693Specdb::CMs99694Specdb::CMs99695Specdb::CMs154488Specdb::MsMs6501Specdb::MsMs6502Specdb::MsMs6503Specdb::MsMs6504Specdb::MsMs311743Specdb::MsMs311744Specdb::MsMs311745Specdb::MsMs356824Specdb::MsMs356825Specdb::MsMs356826Specdb::MsMs3037082Specdb::MsMs3037083Specdb::MsMs3037084Specdb::MsMs3106865Specdb::MsMs3106866Specdb::MsMs3106867Specdb::NmrOneD2592Specdb::NmrOneD3288Specdb::NmrOneD96278Specdb::NmrOneD96279Specdb::NmrOneD96280Specdb::NmrOneD96281Specdb::NmrOneD96282Specdb::NmrOneD96283Specdb::NmrOneD96284Specdb::NmrOneD96285Specdb::NmrOneD96286Specdb::NmrOneD96287Specdb::NmrOneD96288Specdb::NmrOneD96289Specdb::NmrOneD96290Specdb::NmrOneD96291Specdb::NmrOneD96292Specdb::NmrOneD96293Specdb::NmrOneD96294Specdb::NmrOneD96295Specdb::NmrOneD96296Specdb::NmrOneD96297HMDB0150516716BNZ#<Reference:0x0000555675f64890>#<Reference:0x0000555675f64660>#<Reference:0x0000555675f64480>#<Reference:0x0000555675f64228>#<Reference:0x0000555675f64020>#<Reference:0x0000555675f63d50>#<Reference:0x0000555675f639e0>#<Reference:0x0000555675f63738>#<Reference:0x0000555675f63300>#<Reference:0x0000555675f63030>#<Reference:0x0000555675f62d88>#<Reference:0x0000555675f62ab8>#<Reference:0x0000555675f62810>#<Reference:0x0000555675f625e0>#<Reference:0x0000555675f62338>#<Reference:0x0000555675f620b8>#<Reference:0x0000555675f61e38>#<Reference:0x0000555675f61b18>#<Reference:0x0000555675f61758>#<Reference:0x0000555675f613e8>BlackberryType 1specificRubusCommon beanType 1specificPhaseolus vulgaris3885Evergreen blackberryType 1specificRubus laciniatusGuavaType 1specificPsidium guajava120290LovageType 1specificLevisticum officinale48042SafflowerType 1specificCarthamus tinctorius42220.0190.0190.019mg/100 ginsecticide1040Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.larvicide1063pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.