AromaDb: A Database of Plant's Aroma Molecules

Dihydro-p-Cymene Details

: IUPAC Name
alpha-Phellandrene
:Chemical Class
:CAS Registry Number
4221-98-1
:Description

:Fragrance Type
herbaceous aroma

Physical and Chemical properties

PUBCHEM ID7460
Molecular Weight (mg/mol)136.238
Molecular FormulaC10H16
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
IUPAC Namealpha-Phellandrene
Canonical SMILESC/C1=C/C[C@H](C(C)C)/C=C1
PUBCHEM IUPAC INCHIKEYOGLDWXZKYODSOB-SNVBAGLBSA-N
Solubility Level3
Vapour Pressure0.101

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.254
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD500.90238
Ocular IrritancyMild
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 4221-98-1
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 4221-98-1 Dihydro-p-Cymene

Compound Image


2D Structure

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