AromaDb: A Database of Plant's Aroma Molecules

4-Tridecene Details

: IUPAC Name
(E)-tridec-4-ene
:Chemical Class
Alkene
:CAS Registry Number
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID5463211
Molecular Weight (mg/mol)182.346
Molecular FormulaC13H26
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count9
IUPAC Name(E)-tridec-4-ene
Canonical SMILESCCC/C=C/CCCCCCCC
PUBCHEM IUPAC INCHIKEYUJZLNVCZGZKIHR-VQHVLOKHSA-N
Solubility Level2
Vapour Pressure-1.516

Absorption and Metabolism information

XLOGP3 AA6.3
CACTVS TPSA0
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP985.857
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.87402 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 4-Tridecene

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Psyllium, isabgol or isabhghula Mayuri Plantago ovata Mayuri essential oil

Compound Image


2D Structure

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(External database - ChemAxon)