AromaDb: A Database of Plant's Aroma Molecules

Tridecanol Details

: IUPAC Name
tridecan-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
112-70-9
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID8207
Molecular Weight (mg/mol)200.361
Molecular FormulaC13H28O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count11
IUPAC Nametridecan-1-ol
Canonical SMILESCCCCCCCCCCCCCO
PUBCHEM IUPAC INCHIKEYXFRVVPUIAFSTFO-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-3.413

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP985.076
EXT CYP2D6#Prediction1

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 LD505.17212 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 112-70-9 Tridecanol

Compound Image


2D Structure

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