AromaDb: A Database of Plant's Aroma Molecules

Butyl lactate Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
34451-18-8
:Description

:Fragrance Type
buttery

Physical and Chemical properties

PUBCHEM ID8738
Molecular Weight (mg/mol)146.189
Molecular FormulaC7H14O3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
IUPAC Name
Canonical SMILESCCCCOC(=O)[C@@H](C)O
PUBCHEM IUPAC INCHIKEYMRABAEUHTLLEML-ZCFIWIBFSA-N
Solubility Level4
Vapour Pressure-0.836

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP981.162
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD504.04292
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 34451-18-8
2 34451-18-8
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 34451-18-8 Butyl lactate

Compound Image


2D Structure

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