Tris(tridecan-1-yl) phosphite (CED0168911)

Record Information
Version1.0
Creation Date2026-04-04 22:15:55 UTC
Update Date2026-08-22 12:19:57 UTC
Accession NumberCHEM083395
Identification
Common NameTris(tridecan-1-yl) phosphite
ClassSmall Molecule
Description
Tris(tridecan-1-yl) phosphite belongs to the trialkylphosphites, a class of organophosphorus compounds within the organic compounds. With an average molecular weight of 629.05 g/mol, Tris(tridecan-1-yl) phosphite is a heavy molecule. This compound has the chemical formula C39H81O3P. It has been identified in or released from one recorded source, which is electrical and electronic equipment specifically relating to antennas.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC39H81O3P
Average Molecular Mass629.048 g/mol
Monoisotopic Mass628.592 g/mol
CAS Registry Number4089-53-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCCCCCOP(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC
InChI IdentifierInChI=1/C39H81O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3
InChI KeyPEXOFOFLXOCMDX-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
8438.0Log mg/kg[4700:15000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
643HeadwearTextiles, leather & furnishingsNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)0.311397
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)21.4085
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)3.34752
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)2.10193
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)155.076
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)11.8331
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)134.368
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)14.9471
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)74.6574
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P28570Rattus norvegicusPredicted (SEA)1.01204
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)80.1068
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)151.027
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)157.411
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)14.9471
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)273.874
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)27.3251
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)6.53933
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)13.5458
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)3.89246
Click to view 3D structurePutative inactive group IIC secretory phospholipase A2Q5R387HumansPredicted (SEA)7.62922
Click to view 3D structureNon-lysosomal glucosylceramidaseQ9HCG7HumansPredicted (SEA)5.2159
Click to view 3D structureCeramide glucosyltransferaseO88693Mus musculusPredicted (SEA)3.89246
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)11.4438
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 3Q64518Mus musculusPredicted (SEA)30.1276
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)8.25202
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available