Tripalmitin
Grundinformationen
- CAS
1219803-85-6- Standard-SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC- InChIKey
PVNIQBQSYATKKL-UHFFFAOYSA-N- Summenformel
- C51H98O6
- Durchschnittliche Molmasse
- 807,3 g/mol
Überblick
Tripalmitin is a triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by palmitic (hexadecanoic) acid. It is functionally related to a hexadecanoic acid.
Namen und Bezeichner
- Bevorzugter Name
- Tripalmitin
- IUPAC
- 2,3-di(hexadecanoyloxy)propyl hexadecanoate
- Englischer Name
- GLYCERYL TRIHEXADECANOATE-D98
- Summenformel
- C51H98O6
- Molmasse
- 807.34
Namen und Synonyme
TRIPALMITIN555-44-2Glycerol tripalmitateTripalmitoylglycerolGlyceryl tripalmitatePalmitic triglycerideTripalmitateDynasan 116Triglyceryl palmitateBarolubSpezialfett 116Speziafett 116
Weitere Namen anzeigen
Tripalmitin (D??, 98%)GLYCERYL TRIHEXADECANOATE-D98Glyceryl Trihexadecanoate-D98 (Standard)
Glyceryl trihexadecanoateBarolub LCDHexadecanoic acid, 1,2,3-propanetriyl esterPalmitic acid triglycerin esterDynosan 114Hexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) esterTripalmitoyl glyceroltripalmitina
Datenbank-Bezeichner
- CAS
1219803-85-6- ChEMBL
CHEMBL2002154- ChEBI
CHEBI:77393- UNII
- D133ZRF50U
- EC Number
- 209-098-1
- Nikkaji
- J6.469F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 21,9
- Polarare Oberfläche (TPSA)
- 78,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 50
- Schwere Atome
- 57
- Formalladung
- 0
- Komplexität
- 798
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Fatty Acids and Fats
LipidsLipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301]
Cosmetics
Cosmetic ingredients (Tripalmitin) -> CIR (Cosmetic Ingredient Review)
Solvent; Refatting; Emollient; Skin conditioning; Viscosity controlling
Physical Description
Solid; [Merck Index] White powder; [Acros Organics MSDS]
Solid
Ionization Efficiency
Positive
2.27
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section309.9 Ų [M+Na]+ [CCS Type: TIMS; Method: single field calibrated]
Physikochemische Eigenschaften
- CAS Number Unlabeled
- 555 · 555-44-2
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 85.6% (107 of 125) of all reports.
H411 (14.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 125 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Hexadecanoic acid, 1,2,3-propanetriyl ester
Hexadecanoic 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 - Hexadecanoic acid, 1,2,3-propanetriyl ester: Environment tier I assessment
Hazards SummaryIntraperitoneal lethal-dose (mouse) > 500 mg/kg; [RTECS] May cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesAquatic Chronic 2 (14.4%)
Toxikologische Informationen
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
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Metabolite PathwaysD-glyceric acidura
Verwendung und Herstellung
Uses
CIR ingredient: Tripalmitin
Found in fats; [Merck Index]
Use ClassificationCosmetics -> Solvent; Refatting; Emollient; Skin conditioning; Viscosity controlling
General Manufacturing InformationHexadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester: ACTIVE
Anwendungen
VerwendenGlyceryl Trihexadecanoate-d98 (CAS# 1219803-85-6) is a useful isotopically labeled research compound.
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