Grundinformationen
- Standard-SMILES
CCCCCCCCCC(=O)OCC(O)CO- InChIKey
LKUNXBRZDFMZOK-UHFFFAOYSA-N- Summenformel
- C13H26O4
- Durchschnittliche Molmasse
- 246,34 g/mol
- Monoisotopische Masse
- 246,18310931
Überblick
1-monodecanoylglycerol is a 1-monoglyceride that has decanoyl (capryl) as the acyl group. It is a 1-monoglyceride and a monodecanoylglycerol.
Namen und Bezeichner
- Bevorzugter Name
- 1-Decanoylglycerol
- IUPAC
- 2,3-dihydroxypropyl decanoate
- Englischer Name
- MONOCAPRIN
- Summenformel
- C13H26O4
- Molmasse
- 246.34
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2277-23-8、26402-22-2- PubChem CID
- 92926
- DTXSID
DTXSID40891378- ChEMBL
CHEMBL1595008- ChEBI
CHEBI:75547- UNII
- 197M6VFC1W
- EC Number
- 247-667-6、886-775-3
- Nikkaji
- J102.875H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 182
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (Glyceryl Caprate) -> CIR (Cosmetic Ingredient Review)
Emollient
Physikochemische Eigenschaften
- Schmelzpunkt
- 51.4 °C · 51.4 °C
- Siedepunkt
- 309.35 °C · 309.35°C (rough estimate)
- Dichte
- 0.974 · 0.9740 (rough estimate)
- Brechungsindex
- 1.428 · 1.4280 (estimate)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Chloroform: soluble
- Aggregatzustand
- A liquid
- pka
- 13.16 · 13.16±0.20(Predicted)
- Farbe
- White to off-white
- Biologische Quelle
- synthetic (organic)
- InChI
- 1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3
- InChIKey
- LKUNXBRZDFMZOK-UHFFFAOYSA-N
- SMILES
- O=C(OCC(O)CO)CCCCCCCCC
- CAS Datenbank
- 2277 · 2277-23-8
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (6 of 6) of all reports.
Not Classified
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: Decanoic acid, monoester with 1,2,3-propanetriol
Decanoic acid, monoester with 1,2,3-propanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decanoic acid, monoester with 1,2,3-propanetriol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Decanoic acid, monoester with glycerol (EC: 247-667-6)
Glyceryl monocaprate: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 1
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Decanoic acid, monoester with 1,2,3-propanetriol: ACTIVE
Anwendungen
Verwenden1-Decanoyl-rac-glycerol is a monoacylglyecrol with antibacterial activity. Studies show that 1-Decanoyl-rac-glycerol maybe potential apoptotic agents in T-cells.
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