AromaDb: A Database of Plant's Aroma Molecules

Cumin alcohol Details

: IUPAC Name
p-Isopropylbenzylalcohol
:Chemical Class
:CAS Registry Number
536-60-7
:Description

:Fragrance Type
caraway

Physical and Chemical properties

PUBCHEM ID325
Molecular Weight (mg/mol)150.222
Molecular FormulaC10H14O
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
IUPAC Namep-Isopropylbenzylalcohol
Canonical SMILESCC(C)c1ccc(CO)cc1
PUBCHEM IUPAC INCHIKEYOIGWAXDAPKFNCQ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.962

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA52.6
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP982.419
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD502.02406
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

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
1 536-60-7
2 536-60-7
3 536-60-7
4 536-60-7
5 536-60-7
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 536-60-7 Cumin alcohol

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Golden trumpet Allamanda cathartica essential oil

Compound Image


2D Structure

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(External database - ChemAxon)