AromaDb: A Database of Plant's Aroma Molecules

2,6-Dimethyloctanal Details

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

:Fragrance Type
sweet fruit odour

Physical and Chemical properties

PUBCHEM ID5463910
Molecular Weight (mg/mol)156.27
Molecular FormulaC10H20O
Hydrogen Bond Donor CountNA
Hydrogen Bond Acceptor CountNA
Rotatable Bond CountNA
IUPAC Name
Canonical SMILESCC[C@H](C)CCC[C@@H](C)C=O
PUBCHEM IUPAC INCHIKEYCBOBADCVMLMQRW-VHSXEESVSA-N
Solubility Level3
Vapour Pressure-0.381

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSANA
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.479
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.20958
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 2,6-Dimethyloctanal

Compound Image


2D Structure

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