2,2,6,6-tetramethyloxan-4-one (CED0223497)

Record Information
Version1.0
Creation Date2026-08-25 13:56:36 UTC
Update Date2026-08-25 13:56:36 UTC
Accession NumberCHEM265661
Identification
Common Name2,2,6,6-tetramethyloxan-4-one
ClassSmall Molecule
Description
2,2,6,6-tetramethyloxan-4-one belongs to the oxanes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C9H16O2 and an average molecular weight of 156.22 g/mol. It has been identified in or released from three recorded sources, which include floors in building and construction, as well as electrical and electronic equipment such as antennas, communication cables, or conductors.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H16O2
Average Molecular Mass156.220 g/mol
Monoisotopic Mass156.115 g/mol
CAS Registry Number1197-66-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H16O2/c1-8(2)5-7(10)6-9(3,4)11-8/h5-6H2,1-4H3
InChI KeyNOGFHTGYPKWWRX-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
2278.0Log mg/kg[1300:4100]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
497FloorsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
589Life BuoysMarine, shipping & aquacultureNot Available
633Azo DyesTextiles, leather & furnishingsNot Available
648Nitro DyesTextiles, 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 structureSerine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoformQ76MZ3Mus musculusPredicted (SEA)0.155698
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthase, chloroplasticQ38854Arabidopsis thalianaPredicted (SEA)81.3524
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)3223.89
Click to view 3D structureExtended-spectrum beta-lactamase PER-6D5HSX5Aeromonas allosaccharophilaPredicted (SEA)7.70707
Click to view 3D structureADC-14 proteinQ0VTR6Acinetobacter genomosp. 3Predicted (SEA)7.70707
Click to view 3D structureBeta-lactamase SHV-11Q7X575Escherichia coliPredicted (SEA)7.70707
Click to view 3D structureADC-16 proteinQ0VTR8Acinetobacter genomosp. 3Predicted (SEA)7.70707
Indoleamine 2,3-dioxygenase 1 structureClick to view 3D structureIndoleamine 2,3-dioxygenase 1P14902HumansPredicted (SEA)4427.13
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)2114.62
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)6322.6
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)2006.1
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)6785.88
NACHT, LRR and PYD domains-containing protein 3 structureClick to view 3D structureNACHT, LRR and PYD domains-containing protein 3Q96P20HumansPredicted (SEA)4742.19
Click to view 3D structureAndrogen receptorP15207Rattus norvegicusPredicted (SEA)2370.2
Aromatase structureClick to view 3D structureAromataseP11511HumansPredicted (SEA)5285.34
Androgen receptor structureClick to view 3D structureAndrogen receptorP10275HumansPredicted (SEA)6450.66
Mineralocorticoid receptor structureClick to view 3D structureMineralocorticoid receptorP08235HumansPredicted (SEA)5342.79
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)6433.69
Glucocorticoid receptor structureClick to view 3D structureGlucocorticoid receptorP04150HumansPredicted (SEA)6443.74
Click to view 3D structureProstaglandin reductase 1P97584Rattus norvegicusPredicted (SEA)13.6236
G-protein coupled bile acid receptor 1 structureClick to view 3D structureG-protein coupled bile acid receptor 1Q8TDU6HumansPredicted (SEA)4733.08
Click to view 3D structureNACHT, LRR and PYD domains-containing protein 3Q8R4B8Mus musculusPredicted (SEA)3543.77
Ras-related protein Rab-2A structureClick to view 3D structureRas-related protein Rab-2AP61019HumansPredicted (SEA)403.96
Corticosteroid-binding globulin structureClick to view 3D structureCorticosteroid-binding globulinP08185HumansPredicted (SEA)151.027
Sex hormone-binding globulin structureClick to view 3D structureSex hormone-binding globulinP04278HumansPredicted (SEA)325.021
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available