(E)-hept-3-en-1-ol (CED0169362)

Record Information
Version1.0
Creation Date2026-04-04 20:29:45 UTC
Update Date2026-04-04 20:29:45 UTC
Accession NumberCHEM081348
Identification
Common Name(E)-hept-3-en-1-ol
ClassSmall Molecule
Description
(E)-hept-3-en-1-ol is an organic compound with the formula C7H14O and an average molecular weight of 114.19 g/mol. (E)-hept-3-en-1-ol belongs to the fatty alcohols, a subclass of fatty acyls within the organic compounds. This compound is categorized under the superclass of lipids and lipid-like molecules. It has been found in or released from three recorded sources, all of which are household cleaning and consumer products, specifically including other smoking requisites, pipe accessories, and non electric simulated smoking devices.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC7H14O
Average Molecular Mass114.188 g/mol
Monoisotopic Mass114.104 g/mol
CAS Registry Number2108-05-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCC=CCCO
InChI IdentifierInChI=1/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3
InChI KeySDZQUCJFTUULJX-SWJCMRSA-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
2720.0Log mg/kg[1500:4800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
562Pipe AccessoriesHousehold cleaning & consumer productsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)15.8034
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)45.3082
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)99.0242
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)69.2858
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)164.262
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)204.354
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)209.804
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)238.141
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)147.68
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)176.251
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)66.9503
Click to view 3D structureCannabinoid receptor 2Q9QZN9Rattus norvegicusPredicted (SEA)17.2047
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P28570Rattus norvegicusPredicted (SEA)3.65891
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)83.3765
Click to view 3D structureSeed linoleate 9S-lipoxygenaseP24095Glycine maxPredicted (SEA)2.56902
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)8.32987
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)731.861
Fatty acid-binding protein, adipocyte structureClick to view 3D structureFatty acid-binding protein, adipocyteP15090HumansPredicted (SEA)60.5667
Click to view 3D structureOxoeicosanoid receptor 1Q8TDS5HumansPredicted (SEA)12.378
Click to view 3D structureTransient receptor potential cation channel subfamily V member 1O35433Rattus norvegicusPredicted (SEA)179.365
Click to view 3D structure1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1P08487Bos taurusPredicted (SEA)49.9014
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)132.499
Free fatty acid receptor 4 structureClick to view 3D structureFree fatty acid receptor 4Q5NUL3HumansPredicted (SEA)1315.18
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)180.844
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)27.87
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available