Glycerol tridodecanoate (CED0034941)

Record Information
Version1.0
Creation Date2016-05-25 22:02:23 UTC
Update Date2026-08-22 12:19:14 UTC
Accession NumberCHEM024956
Identification
Common NameGlycerol tridodecanoate
ClassSmall Molecule
Description
Glycerol tridodecanoate belongs to the triradylcglycerols, a subclass of glycerolipids within the organic compounds. With an average molecular weight of 639.00 g/mol, Glycerol tridodecanoate is a heavy molecule. It has the chemical formula C39H74O6. Industrially, this compound is utilized as a viscosity modifier, as well as a softener and conditioner. Glycerol tridodecanoate is found in or released from 25 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with antennas, discharge lamps, electric switches, adjustable resistors, and conductors or conductive bodies characterized by the conductive materials. In the realm of household cleaning and consumer products, it appears in soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and other smoking requisites. Furthermore, the compound is present in building and construction materials, specifically tents or canopies. It is also found in food, food processing, and cookware, where it is linked to the preparation of malt, the preparation of vinegar, food preservation, fermentation processes for beer, and the preparation of wine or sparkling wine.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
1,2,3-TridodecanoylglycerolHMDB
1,2,3-TrilauroylglycerolHMDB
Dodecanoic acid 1,2,3-propanetriyl esterHMDB
Glycerin trilaurateHMDB
Glycerol trilaurateHMDB
Glyceryl tridodecanoateHMDB
Glyceryl trilaurateHMDB
Lauric acid triglycerideHMDB
Lauric acid triglycerin esterHMDB
Propane-1,2,3-triyl trilaurateHMDB
TG 12:0/12:0/12:0HMDB
TridodecanoinHMDB
Tridodecanoyl glycerolHMDB
TridodecanoylglycerolHMDB
TrilauroylglycerolHMDB
Dodecanoate 1,2,3-propanetriyl esterHMDB
Glycerin trilauric acidHMDB
Glycerol trilauric acidHMDB
Glyceryl tridodecanoic acidHMDB
Glyceryl trilauric acidHMDB
Laate triglycerideHMDB
Laic acid triglycerideHMDB
Laate triglycerin esterHMDB
Laic acid triglycerin esterHMDB
Propane-1,2,3-triyl trilauric acidHMDB
Glycerin trilaateHMDB
Glycerin trilaic acidHMDB
Glycerol trilaateHMDB
Glycerol trilaic acidHMDB
Glyceryl trilaateHMDB
Glyceryl trilaic acidHMDB
Propane-1,2,3-triyl trilaateHMDB
Propane-1,2,3-triyl trilaic acidHMDB
Tracylglycerol(12:0/12:0/12:0)HMDB
Tracylglycerol(36:0)HMDB
1-Dodecanoyl-2-dodecanoyl-3-dodecanoyl-glycerolHMDB
TriglycerideHMDB
TG(36:0)HMDB
TAG(36:0)HMDB
TAG(12:0/12:0/12:0)HMDB
TriacylglycerolHMDB
TrilaurinHMDB
TG(12:0/12:0/12:0)Lipid Annotator, ChEBI
Chemical FormulaC39H74O6
Average Molecular Mass639.001 g/mol
Monoisotopic Mass638.549 g/mol
CAS Registry Number538-24-9
IUPAC Name1,3-bis(dodecanoyloxy)propan-2-yl dodecanoate
Traditional Name1,3-bis(dodecanoyloxy)propan-2-yl dodecanoate
SMILES[H]C(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChI IdentifierInChI=1S/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3
InChI KeyVMPHSYLJUKZBJJ-UHFFFAOYSA-N
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
ClassGlycerolipids
Sub ClassTriradylcglycerols
Direct ParentTriacylglycerols
Alternative Parents
Substituents
  • Triacyl-sn-glycerol
  • Tricarboxylic acid or derivatives
  • Fatty acid ester
  • Fatty acyl
  • 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
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility1.3e-05 g/LALOGPS
logP9.73ALOGPS
logP13.59ChemAxon
logS-7.7ALOGPS
pKa (Strongest Basic)-6.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area78.9 ŲChemAxon
Rotatable Bond Count38ChemAxon
Refractivity186.08 m³·mol⁻¹ChemAxon
Polarizability82.63 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-001l-3751900000-186ab5f4aeb9dcd0e97bNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-001l-3751900000-186ab5f4aeb9dcd0e97bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0000009000-f0a58fa5fad480d99bafNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0000009000-f0a58fa5fad480d99bafNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0000907000-ab658a63ebc1bf1cb2e9Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0000009000-5dfb05e6553aa8729621Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0002-0000009000-5dfb05e6553aa8729621Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4q-0090909000-7e0e947d313b7e4974cbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0000009000-65bd852687bb227267a1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-0000009000-65bd852687bb227267a1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0100907000-9ebd50ecc56178ec88c4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0330709000-f808d6e66ac99e938d36Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004s-0390301000-f6dbb62ac5df927a6e8dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0092-1950300000-c6be0d26c1f534f7d613Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0000009000-b04629da917188e944f0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0000009000-b04629da917188e944f0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-0000009000-b04629da917188e944f0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-1110329000-7fa56409688ae35da8c0Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-4513391000-709b5c1ed2eb8fcfcf51Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0540-1790210000-41ed924482264ba34297Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, H2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, H2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
10461.0Log mg/kg[5900:19000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
233BrushesPersonal care & cosmeticsNot Available
490Personal care & cosmeticsNot Available
503Tents Or CanopiesBuilding & ConstructionNot Available
504Adjustable ResistorsElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
584BuoysMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
596AcaricidesAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
601Lawn MowersAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
634BucklesTextiles, leather & furnishingsNot Available
639Degreasing LeatherTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
1 pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)21.7199
Probable G-protein coupled receptor 34 structureClick to view 3D structureProbable G-protein coupled receptor 34Q9UPC5HumansPredicted (SEA)1.79053
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)30.5947
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)2.25763
Probable G-protein coupled receptor 174 structureClick to view 3D structureProbable G-protein coupled receptor 174Q9BXC1HumansPredicted (SEA)1.79053
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)48.2665
DNA-directed DNA/RNA polymerase mu structureClick to view 3D structureDNA-directed DNA/RNA polymerase muQ9NP87HumansPredicted (SEA)0.389246
Click to view 3D structureDNA nucleotidylexotransferaseP06526Bos taurusPredicted (SEA)0.389246
Protein kinase C epsilon type structureClick to view 3D structureProtein kinase C epsilon typeQ02156HumansPredicted (SEA)56.9856
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)0.544945
Click to view 3D structureLysophosphatidic acid receptor 3Q9UBY5HumansPredicted (SEA)0.311397
Lysophosphatidic acid receptor 1 structureClick to view 3D structureLysophosphatidic acid receptor 1Q92633HumansPredicted (SEA)0.467095
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)0.622794
Click to view 3D structureMitochondrial carnitine/acylcarnitine carrier proteinO43772HumansPredicted (SEA)0.0778492
Click to view 3D structureLysophosphatidic acid receptor 4Q8BLG2Mus musculusPredicted (SEA)0.856341
Lysophosphatidic acid receptor 6 structureClick to view 3D structureLysophosphatidic acid receptor 6P43657HumansPredicted (SEA)0.544945
Click to view 3D structureLysophosphatidic acid receptor 4Q99677HumansPredicted (SEA)0.700643
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)14.7914
Putative P2Y purinoceptor 10 structureClick to view 3D structurePutative P2Y purinoceptor 10O00398HumansPredicted (SEA)1.79053
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)0.934191
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)16.1926
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)23.4326
Click to view 3D structureLysophosphatidic acid receptor 5Q9H1C0HumansPredicted (SEA)0.622794
Toll-like receptor 2 structureClick to view 3D structureToll-like receptor 2O60603HumansPredicted (SEA)0.856341
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)8.09632
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0011188
FooDB IDFDB002906
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI ID77389
PubChem Compound ID10851
Kegg Compound IDNot Available
YMDB IDYMDB15595
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
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16. The lipid handbook with CD-ROM
17. Triglycerides and Cholesterol Research