AromaDb: A Database of Plant's Aroma Molecules

Amyl Alcohol Details

: IUPAC Name
pentan-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
71-41-0
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID6276
Molecular Weight (mg/mol)88.1482
Molecular FormulaC5H12O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
IUPAC Namepentan-1-ol
Canonical SMILESCCCCCO
PUBCHEM IUPAC INCHIKEYAMQJEAYHLZJPGS-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure0.381

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.426
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.84377 g/kg_body_weight
Ocular IrritancySevere
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 71-41-0 CHRNA2 Homo sapiens n-pentanol inhibits the reaction [Acetylcholine promotes the reaction [[CHRNA2 protein binds to CHRNB4 protein] which results in increased transport of Barium]] affects^binding|decreases^reaction|increases^reaction|increases^transport 11821649
2 71-41-0 GRIA3 n-pentanol results in decreased activity of GRIA3 protein decreases^activity 11429388
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 71-41-0 Amyl Alcohol

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures