[2-(Benzyloxy)-2-oxoethyl](4-phenylbutyl)phosphinic acid (CED0173075)

Record Information
Version1.0
Creation Date2026-04-04 18:21:59 UTC
Update Date2026-08-20 03:47:42 UTC
Accession NumberCHEM077516
Identification
Common Name[2-(Benzyloxy)-2-oxoethyl](4-phenylbutyl)phosphinic acid
ClassSmall Molecule
Description
[2-(Benzyloxy)-2-oxoethyl](4-phenylbutyl)phosphinic acid belongs to the benzyloxycarbonyls, a subclass of benzene and substituted derivatives within the organic compounds. This compound has the formula C19H23O4P1 and an average molecular weight of 346.36 g/mol. It has been found in or released from one recorded source, specifically drinking water and water supply. The recorded exposure route for this substance is oral.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC19H23O4P1
Average Molecular Mass346.363 g/mol
Monoisotopic Mass346.133 g/mol
CAS Registry Number87460-09-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C19H23O4P/c20-19(23-15-18-12-5-2-6-13-18)16-24(21,22)14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13H,7-8,11,14-16H2,(H,21,22)
InChI KeyGVDMCYBWLREELG-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
2346.0Log mg/kg[1300:4200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
115Drinking waterDrinking water & water supplyNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
GIM-1 protein structureClick to view 3D structureGIM-1 proteinQ704V1Pseudomonas aeruginosaPredicted (SEA)0.622794
Click to view 3D structureGlutamyl aminopeptidaseP16406Mus musculusPredicted (SEA)1.71268
Inositol monophosphatase 1 structureClick to view 3D structureInositol monophosphatase 1P20456Bos taurusPredicted (SEA)0.467095
Aldo-keto reductase family 1 member B1 structureClick to view 3D structureAldo-keto reductase family 1 member B1P15121HumansPredicted (SEA)34.5651
Kallikrein-1 structureClick to view 3D structureKallikrein-1P06870HumansPredicted (SEA)50.7577
Kallikrein-4 structureClick to view 3D structureKallikrein-4Q9Y5K2HumansPredicted (SEA)42.6614
Kallikrein-8 structureClick to view 3D structureKallikrein-8O60259HumansPredicted (SEA)11.2881
Kallikrein-2 structureClick to view 3D structureKallikrein-2P20151HumansPredicted (SEA)12.5337
Click to view 3D structureDiacylglycerol lipase-alphaQ9Y4D2HumansPredicted (SEA)11.366
Endoplasmic reticulum aminopeptidase 2 structureClick to view 3D structureEndoplasmic reticulum aminopeptidase 2Q6P179HumansPredicted (SEA)54.8059
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)52.7818
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)188.784
Aldo-keto reductase family 1 member B10 structureClick to view 3D structureAldo-keto reductase family 1 member B10O60218HumansPredicted (SEA)28.2593
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)17.4382
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15144HumansPredicted (SEA)105.096
Aminopeptidase N structureClick to view 3D structureAminopeptidase NP15145Sus scrofaPredicted (SEA)61.6566
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)203.264
Click to view 3D structurePantothenate kinase, putativeQ8ILP4Plasmodium falciparum (isolate 3D7)Predicted (SEA)6.07224
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)107.665
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)304.157
Click to view 3D structureCytosol aminopeptidaseP28839Sus scrofaPredicted (SEA)10.6653
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)273.951
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)111.169
Cruzipain structureClick to view 3D structureCruzipainP25779Trypanosoma cruziPredicted (SEA)75.5137
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)25.6124
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available