AromaDb: A Database of Plant's Aroma Molecules

Acetaldehyde phenethyl propyl acetal Details

: IUPAC Name
2-(1-propoxyethoxy)ethylbenzene
:Chemical Class
:CAS Registry Number
7493-57-4
:Description

:Fragrance Type
leafy aroma

Physical and Chemical properties

PUBCHEM ID61403
Molecular Weight (mg/mol)208.303
Molecular FormulaC13H20O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
IUPAC Name2-(1-propoxyethoxy)ethylbenzene
Canonical SMILESCCCOC(C)OCCc1ccccc1
PUBCHEM IUPAC INCHIKEYFMYCPRQGKSONCP-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA18.46
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.857
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 ToxicityNon-Toxic
Rat Oral LD506.01592
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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 7493-57-4
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 7493-57-4 Acetaldehyde phenethyl propyl acetal

Compound Image


2D Structure

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