Chloroethoxyethylaluminium (CED0090440)

Record Information
Version1.0
Creation Date2026-04-05 19:26:13 UTC
Update Date2026-04-05 19:26:13 UTC
SynCED IDCED0090440
Secondary Accession Numbers
  • CHEM107037
Identification
Common NameChloroethoxyethylaluminium
ClassSmall Molecule
Description
Chloroethoxyethylaluminium belongs to the organic metal halides, a subclass of organic metal salts within the organic compounds. This compound has the chemical formula C4H10AlClO.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC4H10AlClO
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C2H5O.C2H5.Al.ClH/c1-2-3;1-2;;/h2H2,1H3;1H2,2H3;;1H/q-1;;+2;/p-1/rC4H10AlClO/c1-3-5(6)7-4-2/h3-4H2,1-2H3
InChI KeyCQZHWSXKEPTCNM-UHFFFAOYSA-M
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
492.0 Log mg/kg [280:880]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000544Fermentation Processes For Beer?Fermentation processes for beer involve the conversion of sugars into alcohol and carbon dioxide by yeast.Food, food processing & cookwarePubChem
CEDs000642Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.Textiles, leather & furnishingsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.2 Low confidence
Statistical Significance
0.961
Supporting Reference Compounds
372
E-value
7481.23
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.2 Low confidence
Statistical Significance
0.8839
Supporting Reference Compounds
172
E-value
6881.48
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.148
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9337
Supporting Reference Compounds
242
E-value
7268.94
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.146
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9599
Supporting Reference Compounds
332
E-value
7472.59
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.172 Low confidence
Statistical Significance
0.0112
Supporting Reference Compounds
2
E-value
87.5025
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9825
Supporting Reference Compounds
472
E-value
7648.61
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.145
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9735
Supporting Reference Compounds
407
E-value
7578.31
Click to view 3D structureCarbonic anhydrase 13Q9D6N1Mus musculusPredicted (SEA)
Prediction Confidence Score
0.143
Applicability Domain
0.2 Low confidence
Statistical Significance
0.749
Supporting Reference Compounds
70
E-value
5830.6
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.141
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9087
Supporting Reference Compounds
157
E-value
7074.39
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.137
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9661
Supporting Reference Compounds
193
E-value
7521.17
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.137
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9495
Supporting Reference Compounds
151
E-value
7392.1
Carbonic anhydrase structureClick to view 3D structureCarbonic anhydraseQ50565Methanobacterium thermoautotrophicumPredicted (SEA)
Prediction Confidence Score
0.133
Applicability Domain
0.133 Low confidence
Statistical Significance
0.2363
Supporting Reference Compounds
1
E-value
1839.5
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP07140Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.133
Applicability Domain
0.161 Low confidence
Statistical Significance
0.0159
Supporting Reference Compounds
2
E-value
123.936
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.131
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9716
Supporting Reference Compounds
165
E-value
7564.22
Carbonic anhydrase 3 structureClick to view 3D structureCarbonic anhydrase 3P07451HumansPredicted (SEA)
Prediction Confidence Score
0.129
Applicability Domain
0.2 Low confidence
Statistical Significance
0.9328
Supporting Reference Compounds
64
E-value
7261.93
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 structureClick to view 3D structurePeptidyl-prolyl cis-trans isomerase NIMA-interacting 4Q9Y237HumansPredicted (SEA)
Prediction Confidence Score
0.128
Applicability Domain
0.128 Low confidence
Statistical Significance
0.321
Supporting Reference Compounds
1
E-value
2498.8
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.176 Low confidence
Statistical Significance
0.9586
Supporting Reference Compounds
66
E-value
7462.94
Rho-associated protein kinase 1 structureClick to view 3D structureRho-associated protein kinase 1Q13464HumansPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.133 Low confidence
Statistical Significance
0.9971
Supporting Reference Compounds
834
E-value
7762.58
Ribosomal protein S6 kinase beta-1 structureClick to view 3D structureRibosomal protein S6 kinase beta-1P23443HumansPredicted (SEA)
Prediction Confidence Score
0.126
Applicability Domain
0.133 Low confidence
Statistical Significance
0.996
Supporting Reference Compounds
590
E-value
7754.17
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP08909RatPredicted (SEA)
Prediction Confidence Score
0.126
Applicability Domain
0.176 Low confidence
Statistical Significance
0.9853
Supporting Reference Compounds
185
E-value
7670.87
Serine/threonine-protein kinase PAK 4 structureClick to view 3D structureSerine/threonine-protein kinase PAK 4O96013HumansPredicted (SEA)
Prediction Confidence Score
0.125
Applicability Domain
0.128 Low confidence
Statistical Significance
0.9968
Supporting Reference Compounds
728
E-value
7760.4
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)
Prediction Confidence Score
0.125
Applicability Domain
0.128 Low confidence
Statistical Significance
0.9973
Supporting Reference Compounds
967
E-value
7764.14
Glycogen synthase kinase-3 alpha structureClick to view 3D structureGlycogen synthase kinase-3 alphaP49840HumansPredicted (SEA)
Prediction Confidence Score
0.125
Applicability Domain
0.128 Low confidence
Statistical Significance
0.9971
Supporting Reference Compounds
754
E-value
7762.19
Mitogen-activated protein kinase kinase kinase kinase 4 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase kinase 4O95819HumansPredicted (SEA)
Prediction Confidence Score
0.125
Applicability Domain
0.128 Low confidence
Statistical Significance
0.9962
Supporting Reference Compounds
714
E-value
7755.11
Casein kinase I isoform alpha structureClick to view 3D structureCasein kinase I isoform alphaP48729HumansPredicted (SEA)
Prediction Confidence Score
0.125
Applicability Domain
0.128 Low confidence
Statistical Significance
0.9961
Supporting Reference Compounds
674
E-value
7754.48
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available