AromaDb: A Database of Plant's Aroma Molecules

Tridecane Details

: IUPAC Name
tridecane
:Chemical Class
Alkane
:CAS Registry Number
629-50-5
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID12388
Molecular Weight (mg/mol)184.361
Molecular FormulaC13H28
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count10
IUPAC Nametridecane
Canonical SMILESCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEYIIYFAKIEWZDVMP-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-1.554

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA0
BBB Level0
Absorption Level2
EXT PPB#Prediction1
AlogP986.302
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 ToxicityToxic
Rat Oral LD507.35155 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 629-50-5 CXCL8 Homo sapiens tridecane results in increased expression of and results in increased secretion of CXCL8 protein increases^expression|increases^secretion 19720135
2 629-50-5 CXCL8 Homo sapiens tridecane results in increased expression of CXCL8 mRNA increases^expression 27965148
3 629-50-5 IL1A Homo sapiens tridecane results in increased expression of and results in increased secretion of IL1A protein increases^expression|increases^secretion 19720135
4 629-50-5 IL6 Homo sapiens tridecane results in increased expression of and results in increased secretion of IL6 protein increases^expression|increases^secretion 19720135
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 629-50-5 Tridecane

Compound Image


2D Structure

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(External database - ChemAxon)