Results for:
PubChem ID: 241

Compound Details

Synonymous names
trans-N-Methylphenylcyclopropylamine
Cyclohexatriene
Polystream
Pyrobenzol
Pyrobenzole
Benzinum
Benzolene
Benzolum
Nitration benzene
UHOVQNZJYSORNB-UHFFFAOYSA-N
Aromatic alkane
Benzeen
Benzen
benzene
Benzene, Spectrophotometric Grade
Benzin
Benzine
benzol
benzole
Benzolo
Fenzen
Mineral naphtha
Benzol diluent
Bicarburet of hydrogen
Phene
Phenyl hydride
trans-N, N-Dimethylphenylcyclopropylamine
BNZ
Coal naphtha
Motor benzol
RNG
Benzene, analytical standard
Benzene, anhydrous
Benzene, purification grade
Carbon oil
1hyz
1swi
benzene-
2z9g
4i7j
BENZENE, ACS
Benzene, pure
AC1L18SP
Benzene, HPLC Grade
Benzene, for HPLC
Benzol 90
Benzolo [Italian]
(6)Annulene
[6]Annulene
1l83
220l
223l
Benzeen [Dutch]
Benzen [Polish]
Benzene, ACS min
Benzene, pharmaceutical secondary standard; traceable to USP
CCRIS 70
HSDB 35
WLN: RH
ACMC-209snd
Benzene (including benzene from gasoline)
Benzene + aniline combo
Fenzen [Czech]
TRANSGENIC MODEL EVALUATION II (BENZENE)
UN1114
B0020
Benzene-U-14C
HMDB01505
Q0038
Q0042
S0631
ACT02832
BM 613
CHEMBL277500
NSC67315
RL04726
Benzene, ACS spectrophotometric grade, >=99%
C01407
DSSTox_CID_135
Rcra waste number U019
ZINC967532
1,3,5-cyclohexatriene
3,4-DNH
Benzine (Obs.)
DTXSID3039242
LS-1605
OR028055
STL264205
UN 1114
ZB015460
300019X
Benzene, labeled with carbon-14
Benzin (Obs.)
CHEBI:16716
NCI-C55276
AB1007259
AJ-24530
AN-23800
AN-24993
ANW-41399
DSSTox_GSID_39242
KB-47520
NSC 67315
NSC-67315
SC-74481
{[6]Annulene}
BDBM50167939
Benzene, LR, >=99%
Caswell No. 077
DSSTox_RID_79433
MFCD00003009
T5329368
AI3-00808
Benzene, labeled with carbon-14 and tritium
J64922108F
RTR-002195
1,3-Cyclohexadiene-5,6-diylradical
AKOS008967253
EPA Pesticide Chemical Code 008801
Epitope ID:116867
ghl.PD_Mitscher_leg0.503
Z57120059
FT-0080146
FT-0622636
FT-0622667
FT-0656867
FT-0657604
UNII-J64922108F
71-43-2
Benzene, anhydrous, 99.8%
I01-19671
2,5-cyclohexadien-1,4-ylene
erythro-Phenyl-2-piperidyl-carbinol,(-)
Tox21_202487
Benzene, ACS reagent, >=99.0%
Benzene, AR, >=99.5%
I14-114049
CAS-71-43-2
8030-30-6
Benzene, for HPLC, >=99.8%
Benzene, for HPLC, >=99.9%
Benzene, JIS special grade, >=99.5%
MCULE-4899719484
NCGC00090744-01
NCGC00090744-02
NCGC00163890-01
NCGC00163890-02
NCGC00260036-01
Benzene, ReagentPlus(R), thiophene free, >=99%
Benzene, SAJ first grade, >=99.0%
EINECS 200-753-7
26181-88-4
54682-86-9
Benzene [UN1114] [Flammable liquid]
EC 200-753-7
174973-66-1
3945-EP0930075A1
3945-EP1441224A2
3945-EP2269977A2
3945-EP2269978A2
3945-EP2269985A2
3945-EP2269986A1
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3945-EP2275427A1
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3945-EP2277858A1
3945-EP2277862A2
3945-EP2277867A2
3945-EP2277871A1
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3945-EP2277874A1
3945-EP2277875A2
3945-EP2277878A1
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3945-EP2280000A1
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3945-EP2289518A1
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3945-EP2292227A2
3945-EP2292231A1
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3945-EP2292606A1
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3945-EP2295503A1
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3945-EP2298753A1
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3945-EP2298770A1
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3945-EP2300430A1
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3945-EP2302003A1
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3945-EP2305641A1
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3945-EP2305651A1
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3945-EP2305658A1
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3945-EP2305672A1
3945-EP2305676A1
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3945-EP2305683A1
3945-EP2305687A1
3945-EP2305769A2
3945-EP2305825A1
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3945-EP2308846A2
3945-EP2308848A1
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3945-EP2308926A1
3945-EP2309564A1
3945-EP2309584A1
3945-EP2311451A1
3945-EP2311464A1
3945-EP2311796A1
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3945-EP2311802A1
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3945-EP2316837A1
3945-EP2371795A1
3945-EP2371810A1
3945-EP2371811A2
3945-EP2371812A1
3945-EP2371831A1
3945-EP2372804A1
3945-EP2374787A1
3945-EP2374790A1
3945-EP2377610A2
3945-EP2377611A2
3945-EP2377847A1
3945-EP2377849A2
3945-EP2378585A1
3945-EP2379677A2
3945-EP2380568A1
3945-EP2380867A1
3945-EP2380873A1
3945-EP2380874A2
Benzene, for residue analysis, suitable for 5000 per JIS
MolPort-000-871-944
1053658-43-7
Benzene [UN1114] [Flammable liquid]
77823-EP2272846A1
77823-EP2277862A2
77823-EP2277868A1
77823-EP2277869A1
77823-EP2277870A1
77823-EP2287158A1
77823-EP2292608A1
77823-EP2292625A1
77823-EP2295422A2
77823-EP2295436A1
77823-EP2298749A1
77823-EP2298769A1
77823-EP2300430A1
77823-EP2305033A1
77823-EP2308866A1
77823-EP2379677A2
Benzene, purum, >=99.0% (GC)
142077-EP2270010A1
142077-EP2292593A2
Cc-34,(+/-)
Benzene, ACS, 99.0% min. 500ml
Benzene, suitable for 300 per JIS, >=99.5%, for residue analysis
Benzene, >=99.5%, for residue analysis, suitable for 1000 per JIS
Benzene, puriss. p.a., Reag. Ph. Eur., >=99.7%
InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6
Benzene, puriss., absolute, over molecular sieve (H2O <=0.005%), >=99.5% (GC)
Microorganism:

Yes

IUPAC namebenzene
SMILESC1=CC=CC=C1
InchiInChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
FormulaC6H6
PubChem ID241
Molweight78.114
LogP1.97
Atoms12
Bonds12
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiAntrodia Cinnamomea ATCC 200183nanaLu et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiAntrodia Cinnamomea ATCC 200183PDAGC/MSYes