AromaDb: A Database of Plant's Aroma Molecules

8-Hydroxylinalool Details

: IUPAC Name
(2E)-2,6-dimethylocta-2,7-diene-1,6-diol
:Chemical Class
Alcohol
:CAS Registry Number
:Description

:Fragrance Type
citrus

Physical and Chemical properties

PUBCHEM ID5280678
Molecular Weight (mg/mol)170.249
Molecular FormulaC10H18O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
IUPAC Name(2E)-2,6-dimethylocta-2,7-diene-1,6-diol
Canonical SMILESC=CC(C)(O)CC/C=C(C)/CO
PUBCHEM IUPAC INCHIKEYNSMIMJYEKVSYMT-RMKNXTFCSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA1.5
CACTVS TPSA40.5
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.644
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.63628 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

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 8-Hydroxylinalool

Compound Image


2D Structure

Download




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