Triethylammonium (2,4,5-trichlorophenoxy)acetate (CED0136340)

Record Information
Version1.0
Creation Date2026-04-05 18:38:12 UTC
Update Date2026-04-05 18:38:12 UTC
Accession NumberCHEM106110
Identification
Common NameTriethylammonium (2,4,5-trichlorophenoxy)acetate
ClassSmall Molecule
Description
Triethylammonium (2,4,5-trichlorophenoxy)acetate belongs to the phenoxyacetic acid derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified under the superclass of benzenoids and has the chemical formula C8H5Cl3O3.C6H15N.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H5Cl3O3.C6H15N
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1/C8H5Cl3O3.C6H15N/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;1-4-7(5-2)6-3/h1-2H,3H2,(H,12,13);4-6H2,1-3H3
InChI KeyQZKXBNCXPQMZLF-UHFFFAOYSA-N
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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
657.0Log mg/kg[370:1200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
678Nitrogenous FertilisersAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Prostaglandin D2 receptor 2 structureClick to view 3D structureProstaglandin D2 receptor 2Q9Y5Y4HumansPredicted (SEA)14.6357
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)510.847
Click to view 3D structureProstaglandin D2 receptorQ13258HumansPredicted (SEA)18.1389
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)666.856
Phospholipase A2, membrane associated structureClick to view 3D structurePhospholipase A2, membrane associatedP14555HumansPredicted (SEA)10.3539
Phospholipase A2 structureClick to view 3D structurePhospholipase A2P04054HumansPredicted (SEA)8.25202
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)552.107
Click to view 3D structureGroup IIF secretory phospholipase A2Q9BZM2HumansPredicted (SEA)2.88042
Click to view 3D structureGroup IIF secretory phospholipase A2Q9QZT4Mus musculusPredicted (SEA)2.88042
Click to view 3D structureGroup IID secretory phospholipase A2Q9WVF6Mus musculusPredicted (SEA)2.88042
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)676.821
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)617.189
Click to view 3D structurePhospholipase A2, membrane associatedP31482Mus musculusPredicted (SEA)5.68299
Click to view 3D structurePhospholipase A2 group VP39877HumansPredicted (SEA)6.46149
Group 10 secretory phospholipase A2 structureClick to view 3D structureGroup 10 secretory phospholipase A2O15496HumansPredicted (SEA)7.31783
Click to view 3D structurePhospholipase A2 group VP97391Mus musculusPredicted (SEA)4.20386
Click to view 3D structureGroup 10 secretory phospholipase A2Q9QXX3Mus musculusPredicted (SEA)3.81461
Click to view 3D structureGroup IIE secretory phospholipase A2Q9QUL3Mus musculusPredicted (SEA)3.26967
Click to view 3D structurePhospholipase A2Q9Z0Y2Mus musculusPredicted (SEA)3.26967
Group IIE secretory phospholipase A2 structureClick to view 3D structureGroup IIE secretory phospholipase A2Q9NZK7HumansPredicted (SEA)3.26967
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)436.033
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)1811.01
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)965.253
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)1021.77
Click to view 3D structureAldo-keto reductase family 1 member B1P07943Rattus norvegicusPredicted (SEA)56.2071
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available