2-methyl-2-[2-(2-methylbutan-2-ylperoxy)propan-2-ylperoxy]butane (CED0241667)

Record Information
Version1.0
Creation Date2026-08-28 03:34:13 UTC
Update Date2026-08-28 03:34:13 UTC
Accession NumberCHEM285885
Identification
Common Name2-methyl-2-[2-(2-methylbutan-2-ylperoxy)propan-2-ylperoxy]butane
ClassSmall Molecule
Description
2-methyl-2-[2-(2-methylbutan-2-ylperoxy)propan-2-ylperoxy]butane belongs to the organic peroxides, a subclass of organic oxides within the organic compounds. This compound has the chemical formula C13H28O4 and an average molecular weight of 248.36 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H28O4
Average Molecular MassNot Available
Monoisotopic Mass248.199 g/mol
CAS Registry Number3052-70-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(C)(C)OOC(C)(C)OOC(C)(C)CC
InChI IdentifierInChI=1S/C13H28O4/c1-9-11(3,4)14-16-13(7,8)17-15-12(5,6)10-2/h9-10H2,1-8H3
InChI KeyPHIGUQOUWMSXFV-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
6474.0Log mg/kg[3600:12000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Histamine H3 receptor structureClick to view 3D structureHistamine H3 receptorQ9Y5N1HumansPredicted (SEA)7757.83
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)7629.46
Click to view 3D structureMuscarinic acetylcholine receptor M1Q8WMX0Bos taurusPredicted (SEA)5853.79
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7780.17
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)273.562
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)6946.17
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)7771.92
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)7769.59
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)87.5025
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)3427.0
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)7755.88
Click to view 3D structureAcetylcholinesteraseP07140Drosophila melanogasterPredicted (SEA)123.936
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)7399.02
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)6115.91
Click to view 3D structureSphingosine-1-phosphate lyase 1Q8CHN6Rattus norvegicusPredicted (SEA)133.667
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)6335.76
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)4930.35
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 structureClick to view 3D structurePeptidyl-prolyl cis-trans isomerase NIMA-interacting 4Q9Y237HumansPredicted (SEA)2498.8
Click to view 3D structureFK506 binding protein 12Q8QGU2Gallus gallusPredicted (SEA)3843.73
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)7745.92
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7765.62
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)6813.36
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)7703.65
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)7733.62
Click to view 3D structurePancreatic alpha-amylaseP00689Rattus norvegicusPredicted (SEA)2803.43
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available