AromaDb: A Database of Plant's Aroma Molecules

Cevadic acid Details

: IUPAC Name
trans-2-Methyl-2-butenoicacid
:Chemical Class
:CAS Registry Number
80-59-1
:Description

:Fragrance Type
spicy aroma??????

Physical and Chemical properties

PUBCHEM ID125468
Molecular Weight (mg/mol)100.119
Molecular FormulaC5H8O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
IUPAC Nametrans-2-Methyl-2-butenoicacid
Canonical SMILESCC(=O)c2ccc1ccccc1c2
PUBCHEM IUPAC INCHIKEYUIERETOOQGIECD-ONEGZZNKSA-N
Solubility Level4
Vapour Pressure-0.849

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA17.07
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP981.341
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.36408
Ocular IrritancySevere
Hepatotoxic#Prediction1
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 80-59-1
2 80-59-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 80-59-1 Cevadic acid

Compound Image


2D Structure

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