AromaDb: A Database of Plant's Aroma Molecules

Cinnamic Acid Details

: IUPAC Name
(E)-3-phenylprop-2-enoic acid
:Chemical Class
:CAS Registry Number
140-10-3
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID444539
Molecular Weight (mg/mol)148.159
Molecular FormulaC9H8O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name(E)-3-phenylprop-2-enoic acid
Canonical SMILESO=C(O)/C=C/c1ccccc1
PUBCHEM IUPAC INCHIKEYWBYWAXJHAXSJNI-VOTSOKGWSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA37.3
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP981.927
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.0783 g/kg_body_weight
Ocular IrritancyMild
Hepatotoxic#Prediction0
Effected Human Genes

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
1 140-10-3
2 140-10-3
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 140-10-3 Cinnamic Acid

Compound Image


2D Structure

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