Grundinformationen
- Standard-SMILES
CCCCCCCC(=O)OCC(O)CO- InChIKey
GHBFNMLVSPCDGN-UHFFFAOYSA-N- Summenformel
- C11H22O4
- Durchschnittliche Molmasse
- 218,29 g/mol
- Monoisotopische Masse
- 218,15180918
Überblick
1-monooctanoylglycerol is a 1-monoglyceride that has octanoyl as the acyl group. It is a 1-monoglyceride and an octanoate ester.
Namen und Bezeichner
- Bevorzugter Name
- Glyceryl 1-monooctanoate
- IUPAC
- 2,3-dihydroxypropyl octanoate
- Lokaler Name
- Octansure, Monoester mit Glycerin
- Englischer Name
- MONOCAPRYLIN
- Summenformel
- C11H22O4
- Molmasse
- 218.29
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
26402-26-6、502-54-5- PubChem CID
- 3033877
- DTXSID
DTXSID6048383- ChEMBL
CHEMBL1570482- ChEBI
CHEBI:85241- UNII
- MCF579Z59B
- EC Number
- 247-668-1、610-514-2
- Nikkaji
- J118.316H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 66,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 159
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (Glyceryl Caprylate) -> CIR (Cosmetic Ingredient Review)
Emulsifying; Emollient
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physikochemische Eigenschaften
- Schmelzpunkt
- 39 to · 39.0 to 43.0 °C
- Siedepunkt
- 296 ℃[at · 296℃[at 101 325 Pa]
- Dichte
- 1.024 · 1.024[at 20℃]
- Dampfdruck
- 0.001 Pa · 0.001Pa at 25℃
- storage temp.
- 20 °C · −20°C
- Löslichkeit
- 100 mg/mL · DMSO : 100 mg/mL (458.11 mM)
- Aggregatzustand
- powder to lump
- Farbe
- White to Orange to Green
- Wasserlöslichkeit
- 330 g/L · 330g/L at 20℃
- Merck
- 14 · 14,6252
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING - EMOLLIENTDEODORANTSURFACTANT - EMULSIFYING
- LogP
- 1.71 at · 1.71 at 25℃
- EPA chemische Informationen
- Glyceryl monooctanoate (26402-26-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 95.8% (113 of 118) of all reports.
Not Classified
Aggregated GHS information provided per 118 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Octanoic acid, monoester with 1,2,3-propanetriol
Octanoic acid, monoester with 1,2,3-propanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octanoic 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: Octanoic acid, monoester with glycerol (EC: 247-668-1)
Octanoic acid, monoester with 1,2,3-propanetriol: Does not have an individual approval but may be used under an appropriate group standard
Octanoic acid, 2,3-dihydroxypropyl 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.
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29159000
Chemie und Industrie
Verwendung und Herstellung
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
Cosmetics -> Emulsifying; Emollient
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Octanoic acid, monoester with 1,2,3-propanetriol: ACTIVE
Anwendungen
VerwendenMonocaprylin is used in preparation of Citric Acid mixed grease plasticizer.Also, It is an active agent for skin and hair care with pysicochemistry modifying properties.
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