1-[butoxy(methyl)phosphoryl]oxybutane (CED0224650)

Record Information
Version1.0
Creation Date2026-08-25 16:05:53 UTC
Update Date2026-08-25 16:05:53 UTC
SynCED IDCED0224650
Secondary Accession Numbers
  • CHEM267039
Identification
Common Name1-[butoxy(methyl)phosphoryl]oxybutane
ClassSmall Molecule
Description
1-[butoxy(methyl)phosphoryl]oxybutane (C9H21O3P) is an organic compound with an average molecular weight of 208.23 g/mol. 1-[butoxy(methyl)phosphoryl]oxybutane belongs to the phosphonic acid diesters, a subclass of organic phosphonic acids and derivatives within the organic compounds. This substance is found in or released from one recorded source: Electrical & Electronic Equipment (Radio Transmission Systems).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H21O3P
Average Molecular Mass208.230 g/mol
Monoisotopic Mass208.123 g/mol
CAS Registry Number2404-73-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H21O3P/c1-4-6-8-11-13(3,10)12-9-7-5-2/h4-9H2,1-3H3
InChI KeyNPNBLTJGRBYCJB-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
3841.0 Log mg/kg [2200:6800]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
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000530Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.Electrical & Electronic EquipmentPubChem
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
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.406
Statistical Significance
0.0017
Supporting Reference Compounds
31
E-value
13.5458
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.303
Statistical Significance
0.0095
Supporting Reference Compounds
46
E-value
73.7232
UDP-3-O-acyl-N-acetylglucosamine deacetylase structureClick to view 3D structureUDP-3-O-acyl-N-acetylglucosamine deacetylaseO67648Aquifex aeolicus (strain VF5)Predicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.278 Low confidence
Statistical Significance
0.0074
Supporting Reference Compounds
1
E-value
57.4527
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.303
Statistical Significance
0.0051
Supporting Reference Compounds
34
E-value
40.0145
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.303
Statistical Significance
0.0059
Supporting Reference Compounds
42
E-value
46.0867
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.263 Low confidence
Statistical Significance
7.50e-04
Supporting Reference Compounds
3
E-value
5.83869
Click to view 3D structureSphingosine-1-phosphate lyase 1Q8CHN6Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.25 Low confidence
Statistical Significance
5.00e-04
Supporting Reference Compounds
1
E-value
3.89246
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.3
Statistical Significance
0.1309
Supporting Reference Compounds
332
E-value
1018.81
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.303
Statistical Significance
0.0249
Supporting Reference Compounds
83
E-value
193.611
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP07140Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.3
Statistical Significance
1.30e-04
Supporting Reference Compounds
2
E-value
1.01204
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.262 Low confidence
Statistical Significance
0.0076
Supporting Reference Compounds
40
E-value
59.2433
Diacylglycerol acyltransferase/mycolyltransferase Ag85C structureClick to view 3D structureDiacylglycerol acyltransferase/mycolyltransferase Ag85CP9WQN9Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.244 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.71911
Click to view 3D structureFructose-bisphosphate aldolase class IIA0A380PJR2Yersinia pestisPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.243 Low confidence
Statistical Significance
1.70e-04
Supporting Reference Compounds
1
E-value
1.32344
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP21836Mus musculusPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.303
Statistical Significance
0.0395
Supporting Reference Compounds
58
E-value
307.349
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.241 Low confidence
Statistical Significance
0.0013
Supporting Reference Compounds
1
E-value
10.2761
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.265 Low confidence
Statistical Significance
0.4716
Supporting Reference Compounds
825
E-value
3671.29
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.241
Applicability Domain
0.265 Low confidence
Statistical Significance
0.4506
Supporting Reference Compounds
793
E-value
3507.65
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.3
Statistical Significance
0.1896
Supporting Reference Compounds
407
E-value
1475.71
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)
Prediction Confidence Score
0.397
Applicability Domain
0.519
Statistical Significance
3.00e-05
Supporting Reference Compounds
2
E-value
0.233548
1-deoxy-D-xylulose-5-phosphate synthase structureClick to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseP9WNS3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.332
Applicability Domain
0.519
Statistical Significance
3.00e-05
Supporting Reference Compounds
2
E-value
0.233548
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.406
Statistical Significance
1.00e-03
Supporting Reference Compounds
21
E-value
7.78492
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.406
Statistical Significance
9.20e-04
Supporting Reference Compounds
30
E-value
7.16213
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.29 Low confidence
Statistical Significance
5.30e-04
Supporting Reference Compounds
14
E-value
4.12601
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.29 Low confidence
Statistical Significance
6.70e-04
Supporting Reference Compounds
22
E-value
5.2159
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.29 Low confidence
Statistical Significance
6.00e-04
Supporting Reference Compounds
15
E-value
4.67095
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available