AromaDb: A Database of Plant's Aroma Molecules

P-Hydroxybenzyl Alcohol Details

: IUPAC Name
2-(hydroxymethyl)phenol
:Chemical Class
Alcohol
:CAS Registry Number
90-01-7
:Description

:Fragrance Type
coconut

Physical and Chemical properties

PUBCHEM ID5146
Molecular Weight (mg/mol)124.137
Molecular FormulaC7H8O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
IUPAC Name2-(hydroxymethyl)phenol
Canonical SMILESOCc1ccccc1O
PUBCHEM IUPAC INCHIKEYCQRYARSYNCAZFO-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-2.603

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA40.5
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP980.983
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.00305 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

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 90-01-7 ALB Homo sapiens ALB protein binds to and affects the transport of salicyl alcohol affects^binding|affects^transport 8831264
2 90-01-7 BCHE Homo sapiens [2-(2-cresyl)-4H-1-3-2-benzodioxaphosphorin-2-oxide binds to and results in decreased activity of BCHE protein] which results in increased abundance of salicyl alcohol affects^binding|decreases^activity|increases^abundance 22898212
3 90-01-7 SOD2 Rattus norvegicus salicyl alcohol inhibits the reaction [2,2'-azobis(2-amidinopropane) results in decreased activity of SOD2 protein] decreases^activity|decreases^reaction 19665455
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 90-01-7 P-Hydroxybenzyl Alcohol

Compound Image


2D Structure

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