AromaDb: A Database of Plant's Aroma Molecules

Undecanol Details

: IUPAC Name
undecan-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
112-42-5
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID8184
Molecular Weight (mg/mol)172.308
Molecular FormulaC11H24O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count9
IUPAC Nameundecan-1-ol
Canonical SMILESCCCCCCCCCCCO
PUBCHEM IUPAC INCHIKEYKJIOQYGWTQBHNH-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-2.533

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.164
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD503.92778 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
1 112-42-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 112-42-5 Undecanol

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures
(External database - ChemAxon)