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Record Information
StatusExpected but not Quantified
Creation Date2012-09-11 17:31:19 UTC
Update Date2020-02-26 21:43:59 UTC
Secondary Accession Numbers
  • HMDB29592
Metabolite Identification
Common NameTriacetin
DescriptionTriacetin, also known as enzactin or e 1518, belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Thus, triacetin is considered to be a triradylglycerol lipid molecule. Triacetin is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
1,2,3-Propanetriol triacetateChEBI
1,2,3-Propanetriyl triacetateChEBI
2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetateChEBI
e 1518ChEBI
Glycerin triacetateChEBI
Glycerol triacetateChEBI
Glyceryl triacetateChEBI
Triacetyl glycerinChEBI
Triacetyl glycerineChEBI
1,2,3-Propanetriol triacetic acidGenerator
1,2,3-Propanetriyl triacetic acidGenerator
2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetic acidGenerator
Glycerin triacetic acidGenerator
Glycerol triacetic acidGenerator
Glyceryl triacetic acidGenerator
1,2,3-Propanetriol triacetate, 9ciHMDB
1,2,3-Propanetriol, 1,2,3-triacetateHMDB
1,2,3-Propanetriol, triacetateHMDB
Acetic, 1,2,3-propanetriyl esterHMDB
Estol 1581HMDB
Glycerol triacetate tributyrinHMDB
Kesscoflex traHMDB
Kodaflex triacetinHMDB
Propane-1,2,3-triyl triacetateHMDB
Triacetin (1,2,3-propanetriol triacetate)HMDB
Triacetin (glycerol triacetate)HMDB
Triacetin, 8ci, ban, inn, usanHMDB
Triacetyl glycerolHMDB
Chemical FormulaC9H14O6
Average Molecular Weight218.2039
Monoisotopic Molecular Weight218.07903818
IUPAC Name1,3-bis(acetyloxy)propan-2-yl acetate
Traditional Nametriacetin
CAS Registry Number102-76-1
InChI Identifier
Chemical Taxonomy
Description belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
Sub ClassTriradylcglycerols
Direct ParentTriacylglycerols
Alternative Parents
  • Triacyl-sn-glycerol
  • Tricarboxylic acid or derivatives
  • Carboxylic acid ester
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physiological effect

Health effect:


Route of exposure:

Biological location:



Naturally occurring process:


Biological role:

Industrial application:

Physical Properties
Experimental Properties
Melting Point-78 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility58 mg/mL at 25 °CNot Available
LogP0.25Not Available
Predicted Properties
Water Solubility11.3 g/LALOGPS
pKa (Strongest Basic)-6.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area78.9 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity47.97 m³·mol⁻¹ChemAxon
Polarizability20.88 ųChemAxon
Number of Rings0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0zfs-3900000000-0e517995b789bd89015dSpectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0007-7900000000-8dba8a82c4b9ea4fff14Spectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0006-9100000000-4831fd0c53a09c852378Spectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0zfs-3900000000-0e517995b789bd89015dSpectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0007-7900000000-8dba8a82c4b9ea4fff14Spectrum
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0006-9100000000-4831fd0c53a09c852378Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0090000000-8a37824d0f2d133742dcSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0090000000-8a37824d0f2d133742dcSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0aor-0970000000-2aef4d9a7612d8dafbfeSpectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB000751
KNApSAcK IDNot Available
Chemspider ID13835706
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTriacetin
METLIN IDNot Available
PubChem Compound5541
PDB IDNot Available
ChEBI ID9661
Food Biomarker OntologyNot Available
VMH IDNot Available
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
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