AromaDb: A Database of Plant's Aroma Molecules

Butyl laurate Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
106-18-3
:Description

:Fragrance Type
fruity

Physical and Chemical properties

PUBCHEM ID61015
Molecular Weight (mg/mol)256.432
Molecular FormulaC16H32O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
IUPAC Name
Canonical SMILESCCCCCCCCCCCC(=O)OCCCC
PUBCHEM IUPAC INCHIKEYNDKYEUQMPZIGFN-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP986.122
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD5010.9724
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
1 106-18-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 106-18-3 Butyl laurate

Compound Image


2D Structure

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