AromaDb: A Database of Plant's Aroma Molecules

2-Hexyl-1-Decanol Details

: IUPAC Name
2-hexyldecan-1-ol
:Chemical Class
Alcohol
:CAS Registry Number
2425-77-6
:Description

:Fragrance Type
fruity

Physical and Chemical properties

PUBCHEM ID95337
Molecular Weight (mg/mol)242.441
Molecular FormulaC16H34O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
IUPAC Name2-hexyldecan-1-ol
Canonical SMILESCCCCCCCCC(CO)CCCCCC
PUBCHEM IUPAC INCHIKEYXULHFMYCBKQGEE-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA7
CACTVS TPSA20.2
BBB Level0
Absorption Level1
EXT PPB#Prediction1
AlogP986.308
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 ToxicityToxic
Rat Oral LD506.79792 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 2425-77-6
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 2425-77-6 2-Hexyl-1-Decanol

Compound Image


2D Structure

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