AromaDb: A Database of Plant's Aroma Molecules

1,1-Dimethoxy-2-benzylideneheptane Details

: IUPAC Name
alpha-Amylcinnamaldehydedimethylacetal
:Chemical Class
Alkane
:CAS Registry Number
:Description

:Fragrance Type
floral odour reminiscent of jasmine??????

Physical and Chemical properties

PUBCHEM ID6005821
Molecular Weight (mg/mol)248.368
Molecular FormulaC16H24O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Namealpha-Amylcinnamaldehydedimethylacetal
Canonical SMILESCCCCC/C(=Cc1ccccc1)C(OC)OC
PUBCHEM IUPAC INCHIKEYQCHZKUPVENJLAW-FYWRMAATSA-N
Solubility Level2
Vapour Pressure-3.324

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.441
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD506.23976
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1,1-Dimethoxy-2-benzylideneheptane

Compound Image


2D Structure

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