AromaDb: A Database of Plant's Aroma Molecules

Phenoxyethanol Details

: IUPAC Name
2-phenoxyethanol
:Chemical Class
Alcohol
:CAS Registry Number
122-99-6
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID31236
Molecular Weight (mg/mol)138.164
Molecular FormulaC8H10O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
IUPAC Name2-phenoxyethanol
Canonical SMILESOCCOc1ccccc1
PUBCHEM IUPAC INCHIKEYQCDWFXQBSFUVSP-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-2.264

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA29.5
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP981.274
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.62105 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction1
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 122-99-6 Phenoxyethanol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Psyllium, isabgol or isabhghula Mayuri Plantago ovata Mayuri essential oil
2 Psyllium, isabgol or isabhghula Nimisha Plantago ovata Nimisha essential oil

Compound Image


2D Structure

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(External database - ChemAxon)