AromaDb: A Database of Plant's Aroma Molecules

2,4-Dimethyl-1,3-dioxolane Details

: IUPAC Name
2,4-dimethyl-1,3-dioxolane
:Chemical Class
Alkane
:CAS Registry Number
:Description

:Fragrance Type
fruity

Physical and Chemical properties

PUBCHEM ID102993
Molecular Weight (mg/mol)102.135
Molecular FormulaC5H10O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
IUPAC Name
Canonical SMILESCC1COC(C)O1
PUBCHEM IUPAC INCHIKEYROSFUFIOLRQOON-RFZPGFLSSA-N
Solubility Level4
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA26.3
BBB Level4
Absorption Level1
EXT PPB#Prediction0
AlogP980.276
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.89493
Ocular IrritancyMild
Hepatotoxic#Prediction1
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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 2,4-Dimethyl-1,3-dioxolane

Compound Image


2D Structure

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