AromaDb: A Database of Plant's Aroma Molecules

2-Methyloctadecane Details

: IUPAC Name
2-methyloctadecane
:Chemical Class
Alkane
:CAS Registry Number
1560-88-9
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID15264
Molecular Weight (mg/mol)268.521
Molecular FormulaC19H40
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count15
IUPAC Name2-methyloctadecane
Canonical SMILESCCCCCCCCCCCCCCCCC(C)C
PUBCHEM IUPAC INCHIKEYKVQVGSDBGJXNGV-UHFFFAOYSA-N
Solubility Level1
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AA10.2
CACTVS TPSA0
BBB Level4
Absorption Level3
EXT PPB#Prediction1
AlogP988.834
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 LD507.44913 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 1560-88-9
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 1560-88-9 2-Methyloctadecane

Plant Variety and Essential oils

Serial No.Plant NameVariety NameEssential OilCompound Percentage
1 Night-flowering Jasmine Nyctanthes essential oil
2 Night-flowering Jasmine Nyctanthes essential oil

Compound Image


2D Structure

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(External database - ChemAxon)