AromaDb: A Database of Plant's Aroma Molecules

Deca-1,5-lactone Details

: IUPAC Name
Delta-Decalactone
:Chemical Class
:CAS Registry Number
:Description

:Fragrance Type
butter

Physical and Chemical properties

PUBCHEM ID12810
Molecular Weight (mg/mol)170.254
Molecular FormulaC10H18O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
IUPAC NameDelta-Decalactone
Canonical SMILESCCCCC[C@H]1CCCC(=O)O1
PUBCHEM IUPAC INCHIKEYGHBSPIPJMLAMEP-VIFPVBQESA-N
Solubility Level3
Vapour Pressure-1.221

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA20.23
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.002
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.76208
Ocular IrritancyMild
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 Deca-1,5-lactone

Compound Image


2D Structure

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