AromaDb: A Database of Plant's Aroma Molecules

(E)-2-Nonenoic Acid Details

: IUPAC Name
(E)-non-2-enoic acid
:Chemical Class
Acid
:CAS Registry Number
:Description

(E)-2-Nonenoic acid is found in herbs and spices. (E)-2-Nonenoic acid is isolated from Scotch spearmint oil (Mentha gracilis). (E)-2-Nonenoic acid is a flavouring ingredient 2-Nonenoic acid belongs to the family of Unsaturated Fatty Acids. These are fatty acids whose chain contains at least one CC double bond.

:Fragrance Type
fatty aroma

Physical and Chemical properties

PUBCHEM ID5312586
Molecular Weight (mg/mol)156.222
Molecular FormulaC9H16O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
IUPAC Name(E)-non-2-enoic acid
Canonical SMILESCCCCCC/C=C/C(=O)O
PUBCHEM IUPAC INCHIKEYADLXTJMPCFOTOO-BQYQJAHWSA-N
Solubility Level3
Vapour Pressure-2.045

Absorption and Metabolism information

XLOGP3 AA3.2
CACTVS TPSA37.3
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.176
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 ToxicityNon-Toxic
Rat Oral LD503.19597 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

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)
1Anti-microbial63 (E)-2-Nonenoic Acid

Compound Image


2D Structure

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