(2e,4e)-2,4-dimethylhexa-2,4-dienal (CED0211006)

Record Information
Version1.0
Creation Date2026-08-24 13:39:59 UTC
Update Date2026-08-24 13:39:59 UTC
Accession NumberCHEM250100
Identification
Common Name(2e,4e)-2,4-dimethylhexa-2,4-dienal
ClassSmall Molecule
Description
(2e,4e)-2,4-dimethylhexa-2,4-dienal belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound has the formula C8H12O and an average molecular weight of 124.18 g/mol. It is further classified as an organic oxygen compound and an organooxygen compound.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H12O
Average Molecular Mass124.180 g/mol
Monoisotopic Mass124.089 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H12O/c1-4-7(2)5-8(3)6-9/h4-6H,1-3H3/b7-4+,8-5+
InChI KeyJLRXGFYYIORWGF-NSLJXJERSA-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
2342.0Log mg/kg[1300:4200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)5228.43
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP28700Mus musculusPredicted (SEA)512.326
Cellular retinoic acid-binding protein 1 structureClick to view 3D structureCellular retinoic acid-binding protein 1P62965Mus musculusPredicted (SEA)5.99439
Click to view 3D structureCellular retinoic acid-binding protein 2P22935Mus musculusPredicted (SEA)5.99439
Click to view 3D structureRetinoic acid receptor alphaP11416Mus musculusPredicted (SEA)460.867
Click to view 3D structureRetinoic acid receptor gammaP18911Mus musculusPredicted (SEA)711.464
Retinoic acid receptor beta structureClick to view 3D structureRetinoic acid receptor betaP22605Mus musculusPredicted (SEA)662.575
Click to view 3D structureCellular retinoic acid-binding protein 1P40220Gallus gallusPredicted (SEA)5.91654
3-oxoacyl-[acyl-carrier-protein] synthase 2 structureClick to view 3D structure3-oxoacyl-[acyl-carrier-protein] synthase 2P9WQD7Mycobacterium tuberculosisPredicted (SEA)12.378
Click to view 3D structureRetinoic acid receptor RXR-gammaP28705Mus musculusPredicted (SEA)1578.24
Click to view 3D structureRetinoic acid receptor RXR-betaP28704Mus musculusPredicted (SEA)1932.37
Retinoic acid receptor gamma structureClick to view 3D structureRetinoic acid receptor gammaP13631HumansPredicted (SEA)5734.76
Retinoic acid receptor beta structureClick to view 3D structureRetinoic acid receptor betaP10826HumansPredicted (SEA)5316.79
Retinoic acid receptor alpha structureClick to view 3D structureRetinoic acid receptor alphaP10276HumansPredicted (SEA)6076.6
Retinoic acid receptor RXR-gamma structureClick to view 3D structureRetinoic acid receptor RXR-gammaP48443HumansPredicted (SEA)4524.44
Macrophage scavenger receptor types I and II structureClick to view 3D structureMacrophage scavenger receptor types I and IIP21757HumansPredicted (SEA)89.0595
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)120.9
Retinoic acid receptor RXR-beta structureClick to view 3D structureRetinoic acid receptor RXR-betaP28702HumansPredicted (SEA)6125.96
Click to view 3D structureAldehyde dehydrogenase 1A1P27463Gallus gallusPredicted (SEA)34.1758
Click to view 3D structureProtein-S-isoprenylcysteine O-methyltransferaseP32584Saccharomyces cerevisiae S288cPredicted (SEA)59.3211
Click to view 3D structureRetinoic acid receptor RXR-alphaQ05343Rattus norvegicusPredicted (SEA)1840.2
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)7776.98
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)225.996
Click to view 3D structureHistidine biosynthesis bifunctional protein HisBP06987Escherichia coli O26:H11 str. CFSAN001629Predicted (SEA)423.967
Glutamate receptor ionotropic, kainate 4 structureClick to view 3D structureGlutamate receptor ionotropic, kainate 4Q01812Rattus norvegicusPredicted (SEA)147.057
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available