Results for:
PubChem ID: 7809

1,4-xylene

Mass-Spectra

Compound Details

Synonymous names
paraxylene
Scintillar
p-Dimethylbenzene
URLKBWYHVLBVBO-UHFFFAOYSA-N
Chromar
Dimethylbenzene,coking by-products
p-Methyltoluene
Solvent xylene
Para-Xylene
PXY
4-Methyltoluene
p-Xylenes
AC1L1PLL
AC1Q2QRE
P-XYLENE
p-Xylol
ACMC-1BROJ
Xylene,coking b
4-Xylene
p-Xylene, analytical standard
ScintiLene™ Cocktail
1,4-Dimethylbenzene
1,4-Dimethylbenzol
187l
KSC175S8L
Xylene, p-isomer
CHEMBL31561
6WAC1O477V
Benzene, p-dimethyl-
CCRIS 910
CTK0H5985
HSDB 136
S0649
1,4-dimethyl benzene
1,4-Xylene
AS00254
BENZENE,1,4-DIMETHYL
LS-397
NSC72419
RL01514
RP18866
Xylene, p-
A18069
bmse000834
C06756
LTBB002309
p-Xylene-13C8
p-Xylene, pharmaceutical secondary standard; traceable to USP
UNII-6WAC1O477V
ZINC968254
DTXSID2021868
OR000302
OR198617
OR198618
OR245569
OR271024
STL264212
ZB015532
CHEBI:27417
DSSTox_CID_1868
p-XYLENE- D10
AN-22433
ANW-15345
CJ-04643
DSSTox_GSID_21868
LABOTEST-BB LTBB002309
METHYL,(4-METHYLPHENYL)-
NSC 72419
NSC-72419
SC-65191
SC-79143
TRA0007876
Aromatic hydrocarbons, C8, o-xylene-lean
BDBM50008567
DSSTox_RID_76374
MFCD00008556
WLN: 1R D1
ZINC00968254
AI3-52255
p-Xylene, anhydrous, >=99%
TC-104090
TR-001252
AKOS000121124
I01-9720
J-001588
J-524068
1,4-Dimethylcyclohexane, mixture of cis and trans
Benzene, 1,4-dimethyl-
FT-0689271
p-Xylene, for synthesis, 99%
Tox21_201113
106-42-3
F0001-0120
p-Xylene, for HPLC, >=99%
Benzene, 1,4-dimethyl-, oxidized
MCULE-3769448716
NCGC00091661-01
NCGC00091661-02
NCGC00258665-01
p-Xylene, ReagentPlus(R), 99%
CAS-106-42-3
EINECS 203-396-5
68411-39-2
68650-36-2
p-Xylene, 99% 100ml
p-Xylene, SAJ special grade, >=99.0%
MolPort-001-783-900
p-Xylene, SAJ first grade, >=99.0%
p-Xylene [UN1307] [Flammable liquid]
28306-EP2270003A1
28306-EP2277867A2
28306-EP2280003A2
28306-EP2289896A1
28306-EP2301918A1
28306-EP2305825A1
28306-EP2309584A1
28306-EP2314577A1
28306-EP2380568A1
p-Xylene [UN1307] [Flammable liquid]
p-Xylene, purum, >=98.0% (GC)
p-Xylene, puriss. p.a., >=99.0% (GC)
InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H
Microorganism:

Yes

IUPAC name1,4-xylene
SMILESCC1=CC=C(C=C1)C
InchiInChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
FormulaC6H4(CH3)2
PubChem ID7809
Molweight106.168
LogP3
Atoms18
Bonds18
H-bond Acceptor0
H-bond Donor0
Chemical ClassificationBenzenoids alkylbenzenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 4-xylene is measured as 6.90X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 4-xylene 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 3.1 hours(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 4.1 days(SRC). 4-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 4-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.84 mm Hg(3).
Literature: (1) Foster P et al; Fresen Environ Bull 3: 318-323 (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Chao J et al; J Phys Chem Ref Data 12: 1033-63 (1983)
Soil Adsorption
Koc values of 246 and 540 have been measured for 4-xylene in silt and sandy loam soils respectively(1). A Koc value of 204 was measured for 4-xylene using sandy aquifer materials(2). A median experimental Koc value of 295 has also been reported(3). According to a classification scheme(4), these Koc values suggest that 4-xylene is expected to have moderate to low mobility in soil. A soil leaching column study estimated a 4-xylene Koc of 331 using a chromatographic methodology(5). Another soil column leaching study estimated a Koc range of 118-298 based on HPLC measurement(6).
Literature: (1) Walton BT et al; J Environ Qual 21: 552-558 (1992) (2) Abdul AS et al; Hazard Waste & Hazard Mater 4: 211-22 (1987) (3) Schuurmann G et al; Environ Sci Technol 40: 7005-7011 (Supporting information) (2006) (4) Swann RL et al; Res Rev 85: 17-28 (1983) (5) Xu F et al; J Environ Qual 30: 1618-1623 (2001) (6) ECHA; Search for Chemicals. p-Xylene (CAS 106-42-3) Registered Substances Dossier. European Chemical Agency; Available from, as of June 27, 2016: http://echa.europa.eu/
Vapor Pressure
PressureReference
8.84 mm Hg at 25 deg CChao J et al; J Phys Chem Ref Data 12: 1033-66 (1983)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
BacteriaAzospirillum Brasilense Cdpromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
BacteriaBacillus Pumilus ES4promotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaEscherichia Coli DH5apromotion of performance of Chlorella sorokiniana ShihAmavizca et al. 2017
BacteriaBurkholderia Tropica MTo431n/aTenorio-Salgado et al., 2013
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
BacteriaCarnobacterium Divergens 9Pn/aErcolini et al., 2009
BacteriaPseudomonas Fragi 25Pn/aErcolini et al., 2009
BacteriaSerratia Proteamaculans 42Mn/aErcolini et al., 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
BacteriaAzospirillum Brasilense CdTSASPME-GCno
BacteriaBacillus Pumilus ES4TSASPME-GCno
BacteriaEscherichia Coli DH5aTSASPME-GCno
BacteriaBurkholderia Tropica MTo431Potato dextrose agarHeadspace trapping/ GC-MS
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS
FungiPaecilomyces Variotii BainDG18,MEAGC/MS
FungiTrichodema PseudokoningiiMalt extractGC/MS
BacteriaCarnobacterium Divergens 9Pn/an/a
BacteriaPseudomonas Fragi 25Pn/an/a
BacteriaSerratia Proteamaculans 42Mn/an/a