AromaDb: A Database of Plant's Aroma Molecules

E-2-Decen-1-ol Details

: IUPAC Name
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
Fatty rosy aroma??

Physical and Chemical properties

PUBCHEM ID87630
Molecular Weight (mg/mol)156.27
Molecular FormulaC10H20O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
IUPAC Name
Canonical SMILESCCCCCCC/C=C/CO
PUBCHEM IUPAC INCHIKEYQOPYYRPCXHTOQZ-CMDGGOBGSA-N
Solubility Level3
Vapour Pressure-1.906

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.398
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 ToxicityNon-Toxic
Rat Oral LD503.1218
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

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 E-2-Decen-1-ol

Compound Image


2D Structure

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