AromaDb: A Database of Plant's Aroma Molecules

Dehydrolinalool Details

: IUPAC Name
E,R-3,7-Dimethyl-1,5,7-octatrien-3-ol
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
mouldy aroma??

Physical and Chemical properties

PUBCHEM ID62842
Molecular Weight (mg/mol)152.238
Molecular FormulaC10H16O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
IUPAC NameE,R-3,7-Dimethyl-1,5,7-octatrien-3-ol
Canonical SMILESC#C[C@](C)(O)CC/C=C(C)C
PUBCHEM IUPAC INCHIKEYYWTIDNZYLFTNQQ-JTQLQIEISA-N
Solubility Level3
Vapour Pressure-1.369

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA38.69
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.31
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.773619
Ocular IrritancySevere
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 Dehydrolinalool

Compound Image


2D Structure

Download




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