This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Cetyl ethylhexanoate
DrugBank Accession Number
DB11349
Background

Cetyl ethylhexanoate is an ester of cetyl alcohol and 2-ethylhexanoic acid. It is present in cosmetic products as a skin conditioning agent and emollient.

Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 368.646
Monoisotopic: 368.365430786
Chemical Formula
C24H48O2
Synonyms
  • Cetyl 2-ethylhexanoate
  • Hexadecyl 2-ethylhexanoate
  • Perceline oil

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Adverseeffects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

Products2
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Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Sebum Out Finish PactPowder0.47 g/9.5gTopicalWow Ventures2015-05-012017-07-31US flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Sebum Out Finish PactCetyl ethylhexanoate (0.47 g/9.5g)PowderTopicalWow Ventures2015-05-012017-07-31US flag

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Fatty alcohol esters
Direct Parent
Fatty alcohol esters
Alternative Parents
Fatty acid esters / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic acyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Fatty acid ester / Fatty alcohol ester / Hydrocarbon derivative / Monocarboxylic acid or derivatives / Organic oxide / Organic oxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
134647WMX4
CAS number
59130-69-7
InChI Key
XJNUECKWDBNFJV-UHFFFAOYSA-N
InChI
InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3
IUPAC Name
hexadecyl 2-ethylhexanoate
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC

References

General References
Not Available
PubChem Substance
347911192
ChemSpider
39152
RxNav
1306178

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
PowderTopical0.47 g/9.5g
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.51e-05 mg/mLALOGPS
logP9.52ALOGPS
logP9.6ChemAxon
logS-7.4ALOGPS
pKa (Strongest Basic)-7.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 Å2ChemAxon
Rotatable Bond Count21ChemAxon
Refractivity114.1 m3·mol-1ChemAxon
Polarizability50.61 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 03, 2015 16:52 / Updated at June 12, 2020 16:53