AromaDb: A Database of Plant's Aroma Molecules

Decamethylene Glycol Details

: IUPAC Name
decane-1,10-diol
:Chemical Class
Alcohol
:CAS Registry Number
112-47-0
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID37153
Molecular Weight (mg/mol)174.28
Molecular FormulaC10H22O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
IUPAC Namedecane-1,10-diol
Canonical SMILESOCCCCCCCCCCO
PUBCHEM IUPAC INCHIKEYFOTKYAAJKYLFFN-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-4.261

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA40.5
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP982.482
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD508.45191 g/kg_body_weight
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 112-47-0 NA NA NA NA NA
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 112-47-0 Decamethylene Glycol

Compound Image


2D Structure

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