AromaDb: A Database of Plant's Aroma Molecules

Dodecanal dimethyl acetal Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
14620-52-1
:Description

:Fragrance Type
citrus-like aroma??????

Physical and Chemical properties

PUBCHEM ID84559
Molecular Weight (mg/mol)230.394
Molecular FormulaC14H30O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
IUPAC Name
Canonical SMILESCCCCCCCCCCCC(OC)OC
PUBCHEM IUPAC INCHIKEYAJUWUYJULVYGRA-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-2.442

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA52.32
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.838
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD507.27087
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 14620-52-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 14620-52-1 Dodecanal dimethyl acetal

Compound Image


2D Structure

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