AromaDb: A Database of Plant's Aroma Molecules

alpha-Amylcinnamyl alcohol Details

: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
3777-69-3
:Description

:Fragrance Type
floral

Physical and Chemical properties

PUBCHEM ID31209
Molecular Weight (mg/mol)202.298
Molecular FormulaC9H14O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
IUPAC Name
Canonical SMILESCCCCCc1ccco1
PUBCHEM IUPAC INCHIKEYYVBAUDVGOFCUSG-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-2.636

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA46.53
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP984.22
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD504.53243
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 3777-69-3
2 3777-69-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 3777-69-3 alpha-Amylcinnamyl alcohol

Compound Image


2D Structure

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