(E)-Hept-4-enal (CED0042909)

Record Information
Version1.0
Creation Date2026-03-31 22:01:57 UTC
Update Date2026-05-20 16:41:33 UTC
Accession NumberCHEM058314
Identification
Common Name(E)-Hept-4-enal
ClassSmall Molecule
Description
(E)-Hept-4-enal is an organic compound with the formula C7H12O1 and an average molecular weight of 112.17 g/mol. (E)-Hept-4-enal belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance is categorized under the superclass of organic oxygen compounds and the class of organooxygen compounds. It has been identified in one recorded source, specifically within household cleaning and consumer products related to pipe accessories.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H12O1
Average Molecular Mass112.172 g/mol
Monoisotopic Mass112.089 g/mol
CAS Registry Number929-22-6;6728-31-0;62238-34-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC\C=C\CCC=O
InChI IdentifierInChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3+
InChI KeyVVGOCOMZRGWHPI-ONEGZZNKSA-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
2027.0Log mg/kg[1100:3600]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
490Personal care & cosmeticsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureSeed linoleate 9S-lipoxygenaseP24095Glycine maxPredicted (SEA)0.311397
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)1.16774
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)147.446
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)112.959
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)151.417
Click to view 3D structureOxoeicosanoid receptor 1Q8TDS5HumansPredicted (SEA)5.44945
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)6.69503
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)55.1951
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)1333.64
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)552.029
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)1287.24
Click to view 3D structureProstaglandin G/H synthase 2P79208Ovis ariesPredicted (SEA)508.9
Retinoic acid receptor RXR-alpha structureClick to view 3D structureRetinoic acid receptor RXR-alphaP19793HumansPredicted (SEA)670.515
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)347.752
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)3785.5
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)2055.14
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)4049.48
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)733.651
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)276.988
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)3061.03
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)1564.07
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)30.5169
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)655.802
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)266.011
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)760.82
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available