Results for:
PubChem ID: 7929

1,3-xylene

Mass-Spectra

Compound Details

Synonymous names
Dimethylbenzene
metaxylene
IVSZLXZYQVIEFR-UHFFFAOYSA-N
m-Dimethylbenzene
m-Methyltoluene
meta-Xylene
Benzylated m-xylene
m-Xylenes
AC1L1PVL
M-XYLENE
m-Xylol
Xylenes Reagent Grade ACS
3-Xylene
Xylene, mixed isomers
AC1Q2QZ7
m-Xylene, analytical standard
m-Xylene, benzylated
1,3-Dimethylbenzene
1,3-Dimethylbenzol
O9XS864HTE
KSC492A9P
Santosol 150
UNII-O9XS864HTE
1,3-Dimethylbenzene, benzylated
Benzene, m-dimethyl-
CCRIS 907
CTK3J2097
HSDB 135
S0648
1,3-Xylene
2,4-Xylene
BENZENE,1,3-DIMETHYL
CHEMBL286727
LS-459
NSC61769
RL00363
Xylene, m-
ACMC-1C123
bmse000554
C07208
LTBB002308
m-Xylene, pharmaceutical secondary standard; traceable to USP
ZINC968281
DTXSID6026298
OR000300
OR199715
OR213996
OR245566
STL268867
ZB015547
CHEBI:28488
DSSTox_CID_1446
AN-22508
CJ-04648
DSSTox_GSID_21446
DSSTox_GSID_26298
KB-55124
LS-29889
METHYL,(3-METHYLPHENYL)-
NSC 61769
NSC-61769
TRA0080357
BDBM50008556
DSSTox_RID_76162
DSSTox_RID_78091
MFCD00008536
WLN: 1R C1
ZINC00968281
AI3-08916
m-Xylene, anhydrous, >=99%
RTR-033016
TR-033016
AKOS000121123
I01-6934
J-503933
Benzene, 1,3-dimethyl-
FT-0629041
m-Xylene, for synthesis, 99%
Tox21_200292
Tox21_202056
Tox21_303203
108-38-3
Benzene, 1,3-dimethyl-, benzylated
F1908-0174
m-Xylene, ReagentPlus(R), 99%
MCULE-9376558510
NCGC00091711-01
NCGC00091711-02
NCGC00091711-03
NCGC00257052-01
NCGC00257846-01
NCGC00259605-01
CAS-108-38-3
EINECS 203-576-3
EINECS 272-684-0
CAS-1330-20-7
m-Xylene, 99% 100ml
m-Xylene, SAJ first grade, >=98.5%
MolPort-003-926-319
m-Xylene [UN1307] [Flammable liquid]
28307-EP2280005A1
28307-EP2289884A1
28307-EP2301536A1
28307-EP2301538A1
28307-EP2301923A1
28307-EP2301930A1
28307-EP2309584A1
28307-EP2311455A1
28307-EP2314577A1
28307-EP2380568A1
m-Xylene [UN1307] [Flammable liquid]
m-Xylene, puriss. p.a., >=99.0% (GC)
Xylenes, mixture of isomers, ACS, 98.5% min. 500ml
Xylene mixture (50.31% m-xylene, 26.9% o-xylene, 22.24% p-xylene)
InChI=1/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H
Microorganism:

Yes

IUPAC name1,3-xylene
SMILESCC1=CC(=CC=C1)C
InchiInChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
FormulaC6H4(CH3)2
PubChem ID7929
Molweight106.168
LogP3
Atoms18
Bonds18
H-bond Acceptor0
H-bond Donor0
Chemical Classificationbenzenoids alkylbenzenes

mVOC Specific Details

Volatilization
The Henry's Law constant for 3-xylene is measured as 7.18X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that 3-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). 3-Xylene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 3-Xylene is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 8.29 mm Hg at 25 deg C(3).
Literature: (1) Sanemasa I et al; Bull Chem Soc Jpn 55: 1054-62 (1982) (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)
Literature: #An experiment which measured the rate of evaporation of m- and p-xylene from a 1:1000 jet fuel:water mixture found that it averaged 0.64 times the oxygen reaeration rate(1).
Literature: (1) Smith JH, Harper JC; pp.336-53 in 12th Conf Environ Toxicol: Behavior of Hydrocarbon Fuels in the Aquatic Environment (1980)
Soil Adsorption
A Koc value of 166 was measured for 3-xylene using sandy aquifer materials with an foc ranging from 0.0002 to 0.0225(1). Measured Koc values in soil have been reported to be 182(2), 166 and 275(3). According to a classification scheme(3), these Koc values suggest that 3-xylene is expected to have moderate mobility in soil. A Kp value (equilibrium-sorption coefficient) of 0.049 was measured for 3-xylene using a Borden soil column (98% sand, 0.29% organic carbon)(5). Benzene/toluene/xylene mixtures containing 3-xylene, were added to soil columns using aquifer material from the Cohansey aquifer (90% sand; 4.4% organic matter; pH-3.8); a partition coefficient of 8.74 was measured for 3-xylene(6). Adsorption coefficient values of 0.25, 0.23, and 0.02 were measured for 3-xylene, present in a benzene/toluene/ethylbenzene/xylene mixture, on montmorillonite, illite, and kaolinite (all with low to no organic carbon present), respectively, using a batch equilibrium technique(7). More 3-xylene vapor was sorbed by air-dry than oven-dry soil (Evesham clay; air-dry soil contained 37 g organic C, 350 g clay, and 60 g water/kg oven-dry soil) at relative vapor pressures of 3-xylene exceeding 0.6; this suggests that the planar 3-xylene molecule is either readily adsorbed by interlayer sites in the air-dry soil (more sites potentially available than in oven-dry soil) or, as it is a fairly soluble molecule, that some will dissolve in the water film in air-dry soil(8). 3-Xylene has been observed to pass through soil unchanged in concentration at a dune-infiltration site on the Rhine River(9). A soil leaching column study estimated a 3-xylene Koc of 282 using a chromatographic methodology(10).
Literature: (1) Abdul AS et al; Hazard Waste & Hazard Mater 4: 211-22 (1987) (2) Sabljic A; Environ Sci Technol 21: 358-66 (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) Hu Q et al; Environ Toxicol Chem 14: 1133-40 (1995) (6) Uchrin CG, Katz J; Bull Environ Contam Toxicol 46: 534-41 (1991) (7) Li Y, Gupta G; Chemosphere 28: 627-38 (1994) (8) Nye PH et al; J Environ Qual 23: 1031-37 (1994) (9) Piet GJ et al; Quality of Groundwater Int Symp Proc Von Duijvanbouden W et al, eds. Studies Environ Sci 17: 557-64 (1981) (10) Xu F et al; J Environ Qual 30: 1618-1623 (2001)
Vapor Pressure
PressureReference
8.29 mm Hg at 25 deg CChao J et al; J Phys Chem Ref data 12: 1033-63 (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
FungiPaecilomyces Variotii Bainnacompost, soils, food productsSunesson et al., 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Aestivumn/aHeadspace solid-phase microextraction (HS-SPME) combined with GC-MS
FungiPaecilomyces Variotii BainDG18,MEAGC/MS