Didecyl(oxo)phosphanium (CED0275738)

Record Information
Version1.0
Creation Date2026-08-30 02:43:26 UTC
Update Date2026-08-30 02:43:26 UTC
SynCED IDCED0275738
Secondary Accession Numbers
  • CHEM320988
Identification
Common NameDidecyl(oxo)phosphanium
ClassSmall Molecule
Description
Didecyl(oxo)phosphanium is a compound with the formula C20H42OP+. It has an average molecular weight of 329.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC20H42OP+
Average Molecular MassNot Available
Monoisotopic Mass329.297 g/mol
CAS Registry Number74038-18-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCCC[P+](=O)CCCCCCCCCC
InChI IdentifierInChI=1S/C20H42OP/c1-3-5-7-9-11-13-15-17-19-22(21)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3/q+1
InChI KeyMURFQBVILSQRBB-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
8020.0 Log mg/kg [4500:14000]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
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.364
Statistical Significance
3.00e-05
Supporting Reference Compounds
1
E-value
0.233548
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.36
Statistical Significance
1.20e-04
Supporting Reference Compounds
1
E-value
0.934191
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.349
Applicability Domain
0.375
Statistical Significance
0.0051
Supporting Reference Compounds
127
E-value
40.0924
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.375
Statistical Significance
0.0038
Supporting Reference Compounds
197
E-value
29.2713
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.375
Statistical Significance
0.0049
Supporting Reference Compounds
89
E-value
38.5354
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.328
Applicability Domain
0.375
Statistical Significance
0.0016
Supporting Reference Compounds
21
E-value
12.378
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.375
Statistical Significance
7.80e-04
Supporting Reference Compounds
15
E-value
6.07224
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.36
Statistical Significance
0.0101
Supporting Reference Compounds
106
E-value
78.7056
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.36
Statistical Significance
0.0055
Supporting Reference Compounds
83
E-value
42.6614
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.31
Statistical Significance
4.10e-04
Supporting Reference Compounds
1
E-value
3.19182
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.31
Statistical Significance
4.30e-04
Supporting Reference Compounds
15
E-value
3.34752
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.31
Statistical Significance
4.00e-04
Supporting Reference Compounds
14
E-value
3.11397
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.375
Statistical Significance
0.0164
Supporting Reference Compounds
192
E-value
127.595
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.31
Statistical Significance
5.90e-04
Supporting Reference Compounds
22
E-value
4.5931
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.321
Statistical Significance
8.30e-04
Supporting Reference Compounds
40
E-value
6.46149
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.297
Applicability Domain
0.321
Statistical Significance
3.30e-04
Supporting Reference Compounds
2
E-value
2.56902
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.36
Statistical Significance
0.0055
Supporting Reference Compounds
46
E-value
42.9728
Click to view 3D structureHistone deacetylase 11Q96DB2HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.375
Statistical Significance
0.0221
Supporting Reference Compounds
149
E-value
172.28
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.321
Statistical Significance
0.0033
Supporting Reference Compounds
55
E-value
25.8459
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.321
Statistical Significance
4.90e-04
Supporting Reference Compounds
20
E-value
3.81461
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.36
Statistical Significance
0.0132
Supporting Reference Compounds
102
E-value
102.527
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.321
Statistical Significance
3.40e-04
Supporting Reference Compounds
4
E-value
2.64687
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P28570Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
1.10e-04
Supporting Reference Compounds
1
E-value
0.856341
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.281 Low confidence
Statistical Significance
3.50e-04
Supporting Reference Compounds
2
E-value
2.72472
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.273 Low confidence
Statistical Significance
2.70e-04
Supporting Reference Compounds
6
E-value
2.10193
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available