Trimyristin
Basic information
- CAS
555-45-3- Standard SMILES
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC- InChIKey
DUXYWXYOBMKGIN-UHFFFAOYSA-N- Molecular formula
- C45H86O6
- Average molar mass
- 723.2 g/mol
- Monoisotopic mass
- 722.64244046
Overview
Trimyristin is a triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by myristic (tetradecanoic) acid. It is a triglyceride and a tetradecanoate ester.
Names & identifiers
- Preferred name
- Trimyristin
- IUPAC
- 2,3-di(tetradecanoyloxy)propyl tetradecanoate
- English name
- TRIMYRISTIN
- Molecular formula
- C45H86O6
- Molecular weight
- 723.16
Names & synonyms
TRIMYRISTIN555-45-3Glycerol trimyristateGlyceryl trimyristateDynasan 114Myristic acid triglycerideTetradecanoic acid, 1,2,3-propanetriyl ester1,2,3-Propanetriol tritetradecanoateTetradecanoic acid, 1,1',1''-(1,2,3-propanetriyl) esterVP 1142,3-di(tetradecanoyloxy)propyl tetradecanoate18L31PSR28
Show more names
MYRISTINTRITETRADECANOINPropane-1,2,3-triyl tritetradecanoateNSC 4062rimyristinmyristin,tri-
DTXSID701014651NSC-40621,2,3-tritetradecanoyl-sn-glycerolTG(14:0/14:0/14:0)CHEBI:77391RefChem:6329DTXCID70810991209-099-7
Database identifiers
- CAS
555-45-3- PubChem CID
- 11148
- DTXSID
DTXSID701014651- ChEBI
CHEBI:77391- UNII
- 18L31PSR28
- EC Number
- 209-099-7
- Nikkaji
Properties
Computed structural properties
- XLogP
- 18.7
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 44
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 711
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Plant Oils and Extracts
LipidsLipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301]
Cosmetics
Cosmetic ingredients (Trimyristin) -> CIR (Cosmetic Ingredient Review)
Skin conditioning; Emollient; Refatting; Solvent; Viscosity controlling
LogP16.26
Melting Point58.5 °C
Physical Description
White to yellowish grey solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section
291.39 Ų [M+NH4]+ [CCS Type: DT; Method: single field]
294.8 Ų [M+NH4]+ [CCS Type: TIMS; Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]
291.4 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Physicochemical properties
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Tetradecanoic acid, 1,2,3-propanetriyl ester
REACH registered substance: Glycerol trimyristate (EC: 209-099-7)
Tetradecanoic acid, 1,2,3-propanetriyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Tetradecanoic acid, 1,2,3-propanetriyl ester: Human health tier I assessment
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- -
- tsca
- TSCA listed
- hs_code
- 29159000
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Metabolite PathwaysDe Novo Triacylglycerol Biosynthesis TG(14:0/14:0/14:0)
Uses & manufacturing
Uses
CIR ingredient: Trimyristin
Present in coconut oil, nutmeg butter, and other natural oils; [Merck Index]
Use ClassificationCosmetics -> Skin conditioning; Emollient; Refatting; Solvent; Viscosity controlling
General Manufacturing InformationTetradecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester: ACTIVE
Applications
UsesTrimyristin, is the triglyceride of myristic acid, which is found naturally in many vegetable fats and oils. It can be used for the preparation of Solid lipid nanoparticles (SLN) composed of trimyristin (solid lipid) and poloxamer 407 (surfactant).
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by myristic (tetradecanoic) acid.
Suppliers
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Related reactions
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Compound notes
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