AromaDb: A Database of Plant's Aroma Molecules

P-Hydroxybenzaldehy Details

: IUPAC Name
4-hydroxy-2-(2-hydroxypropanoyl)benzaldehyde
:Chemical Class
Aldehyde
:CAS Registry Number
:Description

:Fragrance Type
nutty aroma

Physical and Chemical properties

PUBCHEM ID90797532
Molecular Weight (mg/mol)194.184
Molecular FormulaC10H10O4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
IUPAC Name4-hydroxy-2-(2-hydroxypropanoyl)benzaldehyde
Canonical SMILESCC(O)C(=O)c1cc(O)ccc1C=O
PUBCHEM IUPAC INCHIKEYOLCCNSPAAVFULR-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-4.987

Absorption and Metabolism information

XLOGP3 AA0.5
CACTVS TPSA74.6
BBB Level3
Absorption Level0
EXT PPB#Prediction0
AlogP980.899
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.0061 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards None
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)
1 P-Hydroxybenzaldehy

Compound Image


2D Structure

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