Page last updated: 2024-12-05

2-xylene

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

2-xylene, also known as o-xylene, is a colorless liquid hydrocarbon. It is a major component of gasoline and a common industrial chemical. It is produced by the catalytic reforming of naphtha and is used in the production of phthalic anhydride, a key ingredient in polyester resins. 2-xylene is also used as a solvent and in the manufacture of dyes and plastics. The compound is a suspected human carcinogen and may cause respiratory problems if inhaled. 2-xylene is studied because of its industrial importance and potential health risks. It is also a common contaminant in the environment and its fate and transport are of interest to environmental scientists.'

2-xylene: RN given refers to parent cpd [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

o-xylene : A xylene substituted by methyl groups at positions 1 and 2. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID7237
CHEMBL ID45005
CHEBI ID28063
MeSH IDM0086127

Synonyms (85)

Synonym
o-xylenes
CHEBI:28063 ,
1,2-dimethylbenzol
2-xylene
nsc-60920
3,4-xylene
nsc60920
1,2-dimethylbenzene
o-xylol
1,2-xylene
wln: 1r b1
xylene
dimethylbenzene
benzene, 1,2-dimethyl-
inchi=1/c8h10/c1-7-5-3-4-6-8(7)2/h3-6h,1-2h
benzene,1,2-dimethyl
NCGC00091662-02
NCGC00091662-01
xylene, o-
ai3-08197
einecs 202-422-2
benzene, o-dimethyl-
ccris 905
nsc 60920
hsdb 134
C07212
95-47-6
o-xylene
o-methyltoluene
o-dimethylbenzene
ortho-xylene
o-xylene, spectrophotometric grade, 98%
o-xylene, anhydrous, 97%
CHEMBL45005 ,
AKOS000269058
BMSE000526
xylene, o-isomer
X0012
S0650
bdbm50008560
NCGC00091662-03
cas-95-47-6
NCGC00258212-01
dtxsid3021807 ,
tox21_200658
dtxcid501807
FT-0688168
68411-84-7
z2474e14qp ,
unii-z2474e14qp
o-xylene [un1307] [flammable liquid]
ec 202-422-2
FT-0645147
188L
STL264206
1,2-xylol
2-methyltoluene
2-xylene [hsdb]
o-xylene [mi]
xylenes acs
orthoxylene
xy
dimethyl benzene
dimethyl-benzene
p-xylene-a,a,a-d3
26204-18-2
mfcd00008519
o-xylene, spectrophotometric grade
o-xylene, hplc grade
F1908-0112
o-xylene, puriss. p.a., >=99.0% (gc)
o-xylene, analytical standard
o-xylene-dimethyl-13c2
o-xylene, for hplc, 98%
o-xylene, saj special grade, >=98.5%
o-xylene, for synthesis, 98%
o-xylene, reagent grade, >=98.0%
o-xylene, pharmaceutical secondary standard; certified reference material
o-xylene 10 microg/ml in methanol
o-xylene 100 microg/ml in methanol
Q2988108
o-xylene-alpha,alpha,alpha,alpha',alpha',alpha'-d6
1,2-dimethyl-benzene
BS-20678
EN300-25617

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
" Furthermore, the plasticizing effect of volatile fatty acids in acidogenic leachate may enhance the bioavailability of HOCs sorbed to glassy organic matter in MSW or in soils contaminated with acidogenic leachate."( Factors controlling alkylbenzene sorption to municipal solid waste.
Barlaz, MA; Knappe, DR; Nanny, MA; Taylor, CM; Wu, B, 2001
)
0.31
"The aim of this work was to explore the effect of lowering pH and application of surfactants (Brij 35, Tween 20 and Saponin) in increasing bioavailability and biodegradability of benzene and o-xylene (BX) as two hydrophobic VOCs in a liquid mixture."( Effect of surfactants at natural and acidic pH on microbial activity and biodegradation of mixture of benzene and o-xylene.
Ghobadi, J; Jones, KD; Khoramfar, S; Taheri, P, 2020
)
0.56
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
xylene
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (7)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
interleukin 8Homo sapiens (human)Potency74.97800.047349.480674.9780AID651758
GLI family zinc finger 3Homo sapiens (human)Potency2.49570.000714.592883.7951AID1259369
AR proteinHomo sapiens (human)Potency25.17920.000221.22318,912.5098AID743035
thyroid stimulating hormone receptorHomo sapiens (human)Potency12.58930.001318.074339.8107AID926; AID938
peroxisome proliferator activated receptor gammaHomo sapiens (human)Potency63.09570.001019.414170.9645AID588537
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
AcetylcholinesteraseHomo sapiens (human)IC50 (µMol)2.45500.00000.933210.0000AID32248; AID32280
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
EndolysinTequatrovirus T4Kd470.00003.00003.00003.0000AID238119
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (14)

Processvia Protein(s)Taxonomy
acetylcholine catabolic process in synaptic cleftAcetylcholinesteraseHomo sapiens (human)
regulation of receptor recyclingAcetylcholinesteraseHomo sapiens (human)
osteoblast developmentAcetylcholinesteraseHomo sapiens (human)
acetylcholine catabolic processAcetylcholinesteraseHomo sapiens (human)
cell adhesionAcetylcholinesteraseHomo sapiens (human)
nervous system developmentAcetylcholinesteraseHomo sapiens (human)
synapse assemblyAcetylcholinesteraseHomo sapiens (human)
receptor internalizationAcetylcholinesteraseHomo sapiens (human)
negative regulation of synaptic transmission, cholinergicAcetylcholinesteraseHomo sapiens (human)
amyloid precursor protein metabolic processAcetylcholinesteraseHomo sapiens (human)
positive regulation of protein secretionAcetylcholinesteraseHomo sapiens (human)
retina development in camera-type eyeAcetylcholinesteraseHomo sapiens (human)
acetylcholine receptor signaling pathwayAcetylcholinesteraseHomo sapiens (human)
positive regulation of cold-induced thermogenesisAcetylcholinesteraseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (10)

Processvia Protein(s)Taxonomy
amyloid-beta bindingAcetylcholinesteraseHomo sapiens (human)
acetylcholinesterase activityAcetylcholinesteraseHomo sapiens (human)
cholinesterase activityAcetylcholinesteraseHomo sapiens (human)
protein bindingAcetylcholinesteraseHomo sapiens (human)
collagen bindingAcetylcholinesteraseHomo sapiens (human)
hydrolase activityAcetylcholinesteraseHomo sapiens (human)
serine hydrolase activityAcetylcholinesteraseHomo sapiens (human)
acetylcholine bindingAcetylcholinesteraseHomo sapiens (human)
protein homodimerization activityAcetylcholinesteraseHomo sapiens (human)
laminin bindingAcetylcholinesteraseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (13)

Processvia Protein(s)Taxonomy
extracellular regionAcetylcholinesteraseHomo sapiens (human)
basement membraneAcetylcholinesteraseHomo sapiens (human)
extracellular spaceAcetylcholinesteraseHomo sapiens (human)
nucleusAcetylcholinesteraseHomo sapiens (human)
Golgi apparatusAcetylcholinesteraseHomo sapiens (human)
plasma membraneAcetylcholinesteraseHomo sapiens (human)
cell surfaceAcetylcholinesteraseHomo sapiens (human)
membraneAcetylcholinesteraseHomo sapiens (human)
neuromuscular junctionAcetylcholinesteraseHomo sapiens (human)
synaptic cleftAcetylcholinesteraseHomo sapiens (human)
synapseAcetylcholinesteraseHomo sapiens (human)
perinuclear region of cytoplasmAcetylcholinesteraseHomo sapiens (human)
side of membraneAcetylcholinesteraseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (12)

Assay IDTitleYearJournalArticle
AID603957Octanol-water partition coefficient, log P of the compound2008European journal of medicinal chemistry, Apr, Volume: 43, Issue:4
QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.
AID162229Toxicity determined using Konemann's Industrial Pollutants Toxicity Test1991Journal of medicinal chemistry, May, Volume: 34, Issue:5
Using theoretical descriptors in quantitative structure-activity relationships: some toxicological indices.
AID603950In-vitro air to lung partition coefficients of the compound, logK(lung) (human/rat)2008European journal of medicinal chemistry, Mar, Volume: 43, Issue:3
Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.
AID32280IC50 against acetylcholinesterase; value ranges from 1-4900 nM.1992Journal of medicinal chemistry, Feb-07, Volume: 35, Issue:3
QSAR analyses of the substituted indanone and benzylpiperidine rings of a series of indanone-benzylpiperidine inhibitors of acetylcholinesterase.
AID603951In-vitro air to blood partition coefficients of the compound, logK(blood) (human/rat)2008European journal of medicinal chemistry, Mar, Volume: 43, Issue:3
Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.
AID32248Inhibition of acetylcholinesterase.1992Journal of medicinal chemistry, Feb-07, Volume: 35, Issue:3
QSAR analyses of the substituted indanone and benzylpiperidine rings of a series of indanone-benzylpiperidine inhibitors of acetylcholinesterase.
AID212400Toxicity determined using Tadpole Narcosis Test1991Journal of medicinal chemistry, May, Volume: 34, Issue:5
Using theoretical descriptors in quantitative structure-activity relationships: some toxicological indices.
AID1145576Octanol-water partition coefficient, log P of the compound1976Journal of medicinal chemistry, May, Volume: 19, Issue:5
Partition coefficients and surface areas of some alkylbenzenes.
AID238119Dissociation constant against T4 lysozyme mutant L99A2005Journal of medicinal chemistry, Jun-02, Volume: 48, Issue:11
Decoys for docking.
AID603952In-vitro blood to lung partition coefficients of the compound, logP(lung) (human/rat)2008European journal of medicinal chemistry, Mar, Volume: 43, Issue:3
Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.
AID159270Toxicity determined using Microtox Test1991Journal of medicinal chemistry, May, Volume: 34, Issue:5
Using theoretical descriptors in quantitative structure-activity relationships: some toxicological indices.
AID977611Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB2005Journal of medicinal chemistry, Jun-02, Volume: 48, Issue:11
Decoys for docking.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (177)

TimeframeStudies, This Drug (%)All Drugs %
pre-199014 (7.91)18.7374
1990's23 (12.99)18.2507
2000's61 (34.46)29.6817
2010's59 (33.33)24.3611
2020's20 (11.30)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 34.91

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index34.91 (24.57)
Research Supply Index5.20 (2.92)
Research Growth Index4.89 (4.65)
Search Engine Demand Index47.56 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (34.91)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (0.56%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other179 (99.44%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]