Grundinformationen
- CAS
537-40-6- Standard-SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC- InChIKey
HBOQXIRUPVQLKX-BBWANDEASA-N- Summenformel
- C57H98O6
- Durchschnittliche Molmasse
- 879,4 g/mol
- Monoisotopische Masse
- 878,73634086
Überblick
1,2,3-trilinoleoylglycerol is a triglyceride formed by acylation of the three hydroxy groups of glycerol with linoleic acid. It has a role as a mouse metabolite. It is a TG(18:2/18:2/18:2), a linoleoyl containing 1,2,3-triacyl-sn-glycerol, a triglyceride, a 1,2-diacyl-3-linoleoylglycerol and a 1,3-diacyl-2-linoleoylglycerol. It is functionally related to a linoleic acid.
Namen und Bezeichner
- Bevorzugter Name
- Trilinolein
- IUPAC
- 2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
- Lokaler Name
- Propan-1,2,3-triyltris[(9Z,12Z)-octadeca-9,12-dienoat]
- Englischer Name
- TRILINOLEIN
- Summenformel
- C57H98O6
- Molmasse
- 879.38
Namen und Synonyme
TrilinoleinGlycerol trilinoleate537-40-6V5LJ52OGS7EFADERMA-F2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate(Z,Z)-9,12-Octadecadienoic acid, 1,2,3-propanetriyl estertrilinoelaidate9,12-Octadecadienoic acid (9Z,12Z)-, 1,2,3-propanetriyl estertrilinoleic glycerol2,3-bis(((9Z,12Z)-octadeca-9,12-dienoyl)oxy)propyl (9Z,12Z)-octadeca-9,12-dienoateRefChem:52098
Weitere Namen anzeigen
LinolinLLLEfaderMa FTrilinolinEinecs 208-666-6Triglyceride LLLLLL triacylglycerolGLYCEROL TRILINOLATEC18:2,[CIS,CIS]-9,12
Glyceryl trilinoleateUNII-V5LJ52OGS71,2,3-Propanetriol trilinoleateTG(18:2/18:2/18:2)MFCD00042909CHEMBL3343985CHEBI:75844C57H98O6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 20,3
- Polarare Oberfläche (TPSA)
- 78,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 50
- Schwere Atome
- 63
- Formalladung
- 0
- Komplexität
- 1.130
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301]
Cosmetics
Cosmetic ingredients (Trilinolein) -> CIR (Cosmetic Ingredient Review)
Refatting; Emollient; Viscosity controlling; Solvent
Physical DescriptionSolid
Ionization Efficiency
Positive
3.72
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section310.97 Ų [M+Na]+ [CCS Type: TIMS; Method: single field calibrated]
Physikochemische Eigenschaften
- Schmelzpunkt
- -5 · -5--4 °C
- Siedepunkt
- 816.5 · 816.5±65.0 °C(Predicted)
- Dichte
- 0.925 g/mL · 0.925 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.479
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 50% (1 of 2) of reports.
H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 9,12-Octadecadienoic acid, (Z,Z)-, 1,2,3-propanetriyl ester
9,12-Octadecadienoic acid (9Z,12Z)-, 1,2,3-propanetriyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 9,12-Octadecadienoic acid, (Z,Z)-, 1,2,3-propanetriyl ester: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 4 (50%)
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
Sicherheitsdaten
- F
- 10
- wgk
- -
- hs_code
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Cellular LocationsExtracellular
Metabolite PathwaysDe Novo Triacylglycerol Biosynthesis TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))
Verwendung und Herstellung
UsesCIR ingredient: Trilinolein
Use ClassificationCosmetics -> Refatting; Emollient; Viscosity controlling; Solvent
Anwendungen
Verwendentrilinolein is an emollient, it replenishes the lipids present in the stratum corneum, thereby improving skin look, feel, and texture. Depending on a formulator’s requirements, it can also be used as a solvent and to control a formula’s viscosity.
Anbieter95 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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