AromaDb: A Database of Plant's Aroma Molecules

Capraldehyde dimethyl acetal Details

: IUPAC Name
Decanaldimethylacetal
:Chemical Class
:CAS Registry Number
7779-41-1
:Description

:Fragrance Type
citrus-floral

Physical and Chemical properties

PUBCHEM ID24513
Molecular Weight (mg/mol)202.34
Molecular FormulaC12H26O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
IUPAC NameDecanaldimethylacetal
Canonical SMILESCCCCCCCCCC(OC)OC
PUBCHEM IUPAC INCHIKEYNCRNCSZWOOYBQF-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.49

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA43.37
BBB Level0
Absorption Level0
EXT PPB#Prediction0
AlogP983.926
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 LD505.63876
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 7779-41-1
2 7779-41-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7779-41-1 Capraldehyde dimethyl acetal

Compound Image


2D Structure

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