AromaDb: A Database of Plant's Aroma Molecules

(Z)-3-Hexenoic Acid Details

: IUPAC Name
(Z)-hex-3-enoic acid
:Chemical Class
Acid
:CAS Registry Number
1775-43-5
:Description

:Fragrance Type
fruity

Physical and Chemical properties

PUBCHEM ID5355152
Molecular Weight (mg/mol)114.142
Molecular FormulaC6H10O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
IUPAC Name(Z)-hex-3-enoic acid
Canonical SMILESCC/C=C/CC(=O)O
PUBCHEM IUPAC INCHIKEYXXHDAWYDNSXJQM-ARJAWSKDSA-N
Solubility Level4
Vapour Pressure-1.058

Absorption and Metabolism information

XLOGP3 AA1.2
CACTVS TPSA37.3
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981.386
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.75827 g/kg_body_weight
Ocular IrritancySevere
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 1775-43-5
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1775-43-5 (Z)-3-Hexenoic Acid

Compound Image


2D Structure

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