[3-(diethoxyphosphoryloxymethyl)phenyl] 2-acetyloxybenzoate (CED0273583)

Record Information
Version1.0
Creation Date2026-08-29 23:18:19 UTC
Update Date2026-08-29 23:18:19 UTC
Accession NumberCHEM318778
Identification
Common Name[3-(diethoxyphosphoryloxymethyl)phenyl] 2-acetyloxybenzoate
ClassSmall Molecule
Description
[3-(diethoxyphosphoryloxymethyl)phenyl] 2-acetyloxybenzoate is a chemical compound with the formula C20H23O8P and an average molecular weight of 422.40 g/mol. It has been found in or released from one recorded source: household cleaning and consumer products, specifically pipe accessories.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H23O8P
Average Molecular MassNot Available
Monoisotopic Mass422.113 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCOP(=O)(OCC)OCC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2OC(=O)C
InChI IdentifierInChI=1S/C20H23O8P/c1-4-24-29(23,25-5-2)26-14-16-9-8-10-17(13-16)28-20(22)18-11-6-7-12-19(18)27-15(3)21/h6-13H,4-5,14H2,1-3H3
InChI KeyMIOWDMDSHGIZNU-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
3096.0Log mg/kg[1700:5500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)2095.93
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)766.503
Click to view 3D structure15-cis-phytoene desaturaseP26294Synechococcus elongatus (strain PCC 7942) (Anacystis nidulans R2)Predicted (SEA)52.3147
Click to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)164.885
p-hydroxybenzoate hydroxylase structureClick to view 3D structurep-hydroxybenzoate hydroxylaseP00438Pseudomonas fluorescensPredicted (SEA)61.0338
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)642.957
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)384.809
Potassium channel subfamily K member 9 structureClick to view 3D structurePotassium channel subfamily K member 9Q9NPC2HumansPredicted (SEA)83.6101
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)356.16
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)537.471
Rho-associated protein kinase 1 structureClick to view 3D structureRho-associated protein kinase 1Q13464HumansPredicted (SEA)1979.86
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)354.525
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)3121.99
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)1772.24
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)833.298
Click to view 3D structureComplement factor DP32038Rattus norvegicusPredicted (SEA)2.25763
Click to view 3D structureButyrylcholinesteraseQ9N1N9Equus caballusPredicted (SEA)52.0811
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)98.1679
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)1731.37
Mas-related G-protein coupled receptor member X4 structureClick to view 3D structureMas-related G-protein coupled receptor member X4Q96LA9HumansPredicted (SEA)48.8115
Click to view 3D structureAcidic phospholipase A2 CM-IP00602Naja mossambicaPredicted (SEA)27.9479
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)2689.22
Click to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)105.875
Potassium channel subfamily K member 3 structureClick to view 3D structurePotassium channel subfamily K member 3O14649HumansPredicted (SEA)95.9881
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)427.626
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available