Results for:
PubChem ID: 7809

1,4-xylene

Mass-Spectra

Compound Details

Synonymous names
P-XYLENE
1,4-Dimethylbenzene
Para-Xylene
106-42-3
1,4-Xylene
p-Methyltoluene
p-Dimethylbenzene
p-Xylol
Benzene, 1,4-dimethyl-
4-Xylene
4-Methyltoluene
Chromar
Scintillar
1,4-Dimethylbenzol
paraxylene
CCRIS 910
NSC 72419
HSDB 136
EINECS 203-396-5
UNII-6WAC1O477V
6WAC1O477V
DTXSID2021868
CHEBI:27417
AI3-52255
NSC-72419
68650-36-2
CHEMBL31561
p-Xylene-alpha,alpha'-13C2
DTXCID701868
EC 203-396-5
MFCD00008556
Xylene, p-
Benzene, p-dimethyl-
p-Xylenes
Xylene, p-isomer
PXY
p-Xylol (DOT)
1,4-dimethyl benzene
1,4-dimethyl-benzene
P-XYLENE [MI]
4-XYLENE [HSDB]
bmse000834
p-Xylene, analytical standard
BENZENE,1,4-DIMETHYL
WLN: 1R D1
p-Xylene, anhydrous, >=99%
p-Xylene, for synthesis, 99%
DTXSID90178045
187l
p-Xylene, for HPLC, >=99%
p-Xylene, ReagentPlus(R), 99%
NSC72419
p-Xylene 10 microg/mL in Methanol
Tox21_201113
BDBM50008567
Benzene, 1,2(or 1,4)-dimethyl-
c0083
STL264212
AKOS000121124
MCULE-3769448716
p-Xylene 5000 microg/mL in Methanol
p-Xylene, purum, >=98.0% (GC)
NCGC00091661-01
NCGC00091661-02
NCGC00258665-01
68411-39-2
CAS-106-42-3
p-Xylene, SAJ first grade, >=99.0%
p-Xylene [UN1307] [Flammable liquid]
p-Xylene, SAJ special grade, >=99.0%
NS00001217
S0649
X0014
X0044
EN300-24549
p-Xylene, puriss. p.a., >=99.0% (GC)
C06756
J-001588
J-524068
Q3314420
F0001-0120
Z199056432
InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H
p-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material
136777-61-2
25951-90-0
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
FormulaC8H10
PubChem ID7809
Molweight106.16
LogP3.2
Atoms8
Bonds0
H-bond Acceptor0
H-bond Donor0
Chemical Classificationaromatic compounds alkylbenzenes benzenoids
CHEBI-ID27417
Supernatural-IDSN0378172

mVOC Specific Details

Boiling Point
DegreeReference
138.3 °C peer reviewed
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
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
ProkaryotaEscherichia ColiNACeleiro et al. 2020
ProkaryotaProteus MirabilisNACeleiro et al. 2020
ProkaryotaPseudomonas AeruginosaNACeleiro et al. 2020
EukaryotaTuber Aestivumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
ProkaryotaAzospirillum Brasilensepromotion of performance of Chlorella sorokiniana Shihculture collection DSMZ 1843Amavizca et al. 2017
ProkaryotaBacillus Pumiluspromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaEscherichia Colipromotion of performance of Chlorella sorokiniana ShihNAAmavizca et al. 2017
ProkaryotaBurkholderia Tropican/aNATenorio-Salgado et al. 2013
EukaryotaFusarium Graminearumn/aNABusko et al. 2014
EukaryotaTrichoderma Pseudokoningiin/aNAWheatley et al. 1997
EukaryotaPaecilomyces Variotiinacompost, soils, food productsSunesson et al. 1995
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaHanseniaspora UvarumNANAGe et al. 2021
EukaryotaSaccharomycopsis CrataegensisNANAGe et al. 2021
EukaryotaMetschnikowia PulcherrimaNANAGe et al. 2021
EukaryotaPichia KluyveriNANAGe et al. 2021
EukaryotaRhodosporidiobolus LusitaniaeNANAGe et al. 2021
EukaryotaKluyveromyces MarxianusJi et al. 2024
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes
ProkaryotaStaphylococcus EpidermidisBHI media, MHB mediaHS-SPME/GC×GC-TOFMSno
ProkaryotaEscherichia ColiSPME/GC-MSno
ProkaryotaProteus MirabilisSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaSPME/GC-MSno
EukaryotaTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MSno
ProkaryotaAzospirillum BrasilenseTSASPME-GCno
ProkaryotaBacillus PumilusTSASPME-GCno
ProkaryotaEscherichia ColiTSASPME-GCno
ProkaryotaBurkholderia TropicaPotato dextrose agarHeadspace trapping/ GC-MSno
EukaryotaFusarium Graminearumyeast extract sucrose agarSPME/GC-MSno
EukaryotaTrichoderma PseudokoningiiMalt extractGC/MSno
EukaryotaPaecilomyces VariotiiDG18,MEAGC/MSno
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaHanseniaspora Uvarumgrape juiceLC-15C HPLCno
EukaryotaSaccharomycopsis Crataegensisgrape juiceLC-15C HPLCno
EukaryotaMetschnikowia Pulcherrimagrape juiceLC-15C HPLCno
EukaryotaPichia Kluyverigrape juiceLC-15C HPLCno
EukaryotaRhodosporidiobolus Lusitaniaegrape juiceLC-15C HPLCno
EukaryotaKluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno