AromaDb: A Database of Plant's Aroma Molecules

Glycerylpalmitate Details

: IUPAC Name
2,3-di(hexadecanoyloxy)propyl hexadecanoate
:Chemical Class
Ester
:CAS Registry Number
555-44-2
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID11147
Molecular Weight (mg/mol)807.32
Molecular FormulaC51H98O6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count50
IUPAC Name2,3-di(hexadecanoyloxy)propyl hexadecanoate
Canonical SMILESCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
PUBCHEM IUPAC INCHIKEYPVNIQBQSYATKKL-UHFFFAOYSA-N
Solubility Level1
Vapour Pressure-9.852

Absorption and Metabolism information

XLOGP3 AA21.9
CACTVS TPSA78.9
BBB Level4
Absorption Level3
EXT PPB#Prediction1
AlogP9819.521
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD5098.5573 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

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
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 555-44-2 Glycerylpalmitate

Compound Image


2D Structure

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