Results for:
PubChem ID: 241

Compound Details

Synonymous names
benzene
benzol
71-43-2
Cyclohexatriene
benzole
Pyrobenzole
Benzine
Benzen
Coal naphtha
Pyrobenzol
Mineral naphtha
Phene
Phenyl hydride
Benzolene
Bicarburet of hydrogen
Motor benzol
Benzeen
Benzin
Benzolo
Fenzen
[6]Annulene
Nitration benzene
(6)Annulene
Benzol 90
NCI-C55276
Benzine (Obs.)
Rcra waste number U019
Benzin (Obs.)
Benzinum
Caswell No. 077
Benzene, pure
1,3,5-cyclohexatriene
CCRIS 70
HSDB 35
NSC 67315
UN 1114
CHEBI:16716
EINECS 200-753-7
EPA Pesticide Chemical Code 008801
DTXSID3039242
AI3-00808
UNII-J64922108F
BENZENE (BENZOL)
NSC-67315
DTXCID20135
CHEMBL277500
Benzene-1,2,4,5-d4
J64922108F
EC 200-753-7
NSC67315
MFCD00003009
54682-86-9
BENZENE (1,3,5-D3)
BENZENE (IARC)
BENZENE [IARC]
BENZENE (MART.)
BENZENE [MART.]
BENZENE (USP-RS)
BENZENE [USP-RS]
phenylmanganese iodide
Benzeen [Dutch]
Benzen [Polish]
Fenzen [Czech]
Benzolo [Italian]
BNZ
Benzene 100 microg/mL in Methanol
Benzene, ACS reagent, >=99.0%
2396-01-2
62485-97-6
UN1114
benzene,iodomanganese(1+)
Benzolum
Benzene (including benzene from gasoline)
p-benzene
benzene-
C6H6
26181-88-4
1hyz
1swi
benzin /obsolete/
1,4-phenylene
benzine /obsolete/
[6]-annulene
Benzene ACS Grade
Benzene HPLC grade
Benzene, for HPLC
Caswell no 077
{[6]Annulene}
MINERAL NAPHTA
Ph-H
Phenyl; Phenyl Radical
2z9g
4i7j
HEADACHE INSOMNIA
BENZENE [VANDF]
BENZINUM [HPUS]
Benzene + aniline combo
BENZENE [HSDB]
BENZENE [MI]
Benzene, labeled with carbon-14 and tritium
WLN: RH
BENZENE [WHO-DD]
22 - BTEX in Soil
Epitope ID:116867
Benzene, purification grade
Benzene, analytical standard
5 - VOCs
Benzene, LR, >=99%
ghl.PD_Mitscher_leg0.503
Benzene, anhydrous, 99.8%
Benzene, AR, >=99.5%
34J - WFD J
3,4-DNH
1l83
220l
223l
7 - VOCs (Perkin Elmer tubes)
Benzene 10 microg/mL in Methanol
DTXSID101337601
DTXSID301037374
trans-N-Methylphenylcyclopropylamine
BCP26158
Benzene 20 microg/mL in Triacetin
Benzene, for HPLC, >=99.8%
Benzene, for HPLC, >=99.9%
Tox21_202487
BDBM50167939
BM 613
STL264205
Benzene 5000 microg/mL in Methanol
Benzene, purum, >=99.0% (GC)
18C - Benzenes, Toluene and Xylenes
AKOS008967253
MCULE-4899719484
Benzene, SAJ first grade, >=99.0%
CAS-71-43-2
USEPA/OPP Pesticide Code: 008801
ACETONE IMPURITY C [EP IMPURITY]
Benzene [UN1114] [Flammable liquid]
Benzene, JIS special grade, >=99.5%
erythro-Phenyl-2-piperidyl-carbinol,(-)
NCGC00090744-01
NCGC00090744-02
NCGC00163890-01
NCGC00163890-02
NCGC00260036-01
trans-N, N-Dimethylphenylcyclopropylamine
Cc-34,(+/-)
RNG
12A. - VOCs - Carbopack X sorbent tubes
Benzene Content (Nominal: 0.62% Volume)
DS-002542
B0020
for HPLC, inverted exclamation markY99.7%
NS00009783
Q0038
Q2270
Benzene 30 microg/mL in N,N-Dimethylacetamide
Benzene, ACS spectrophotometric grade, >=99%
C01407
Benzene, ReagentPlus(R), thiophene free, >=99%
InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6
12 - VOCs - Tenax TA sorbent tubes (Perkin Elmer)
Benzene, puriss. p.a., Reag. Ph. Eur., >=99.7%
Q26841227
BIPERIDEN HYDROCHLORIDE IMPURITY F [EP IMPURITY]
Benzene, Pharmaceutical Secondary Standard; Certified Reference Material
Benzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC)
25053-22-9
3355-34-8
Microorganism:

Yes

IUPAC namebenzene
SMILESC1=CC=CC=C1
InchiInChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
FormulaC6H6
PubChem ID241
Molweight78.11
LogP2.1
Atoms6
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids
CHEBI-ID16716
Supernatural-IDSN0370665

mVOC Specific Details

Boiling Point
DegreeReference
80.08 °C peer reviewed
Volatilization
The Henry's Law constant for benzene is 5.56X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that benzene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 1 hr(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 3.5 days(SRC). Benzene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of benzene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 94.8 mm Hg(3).
Literature: (1) Mackay D et al; Environ Sci Technol 13: 333-36 (1979) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng New York, NY: Hemisphere Pub Corp 5 Vol (1989)
Soil Adsorption
An experimentally derived log Koc of 1.93 (Koc = 85) was obtained via reverse phase HPLC (high performance liquid chromatography) with a cyanopropyl column and a mobile phase of water(1). According to a classification scheme(2), this estimated Koc value suggests that benzene is expected to have high mobility in soil. The sorption equilibrium for benzene in a soil/water mixture (ratio soil/water 0.12 kg/l) took 72 hrs(3). The Koc for benzene has also been experimentally determined to be 79(4).
Literature: (1) Hodson J, Williams, NA; Chemosphere 17: 67-77 (1988) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Zhang WX, Bouwer EJ; Biodegradation 8: 167-175 (1997) (4) Johnston CD et al; J Cont Hydrol 33: 377-404 (1998)
Vapor Pressure
PressureReference
94.8 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989., p. 361
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus AureusNANAJia et al. 2010
EukaryotaAspergillus NigerNANACosta et al. 2016
EukaryotaCandida AlbicansNANACosta et al. 2016
EukaryotaPenicillium ChrysogenumNANACosta et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAMellors et al. 2018
ProkaryotaProteus Vulgarisrhizosphere of lahophyte plant, Glasswort (Salicornia herbacea L.)Yu et al. 2013
EukaryotaTuber MelanosporumT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaAntrodia CinnamomeananaLu et al. 2014
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusMHBSPME/GC-MSno
EukaryotaAspergillus NigerYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaCandida AlbicansYeast Glucose ChloramphenicolSPME/GCxGC-MSno
EukaryotaPenicillium ChrysogenumYeast Glucose ChloramphenicolSPME/GCxGC-MSno
ProkaryotaStreptococcus PneumoniaeModified Lacks MediaSPME/GCxGC-MSno
ProkaryotaProteus VulgarisLB agarSPME, GC-MSno
EukaryotaTuber Melanosporumyes
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno