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2,3-Dihydroxypropyloleat
Glyceryl oleate · MONOOLEIN · GMO · GLYCEROL MONOOLEATE · 9-Octadecenoic acid (Z)-, 2,3-dihydroxypropyl ester · 1-Monooleoylglycerol · 1-OLEOYL-RAC-GLYCEROL · 1-Oleoylglycerol
Identifikatoren & physikalische Daten
| CAS No. | 111-03-5 |
|---|---|
| Summenformel | C21H40O4 |
| Durchschnittliche Molmasse | 356,5 g/mol |
| Monoisotopische Masse | 356,29265976 g/mol |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO |
| InChIKey | RZRNAYUHWVFMIP-KTKRTIGZSA-N |
| PubChem CID | 5283468 |
| ChEMBL | CHEMBL2075039 |
| ChEBI | CHEBI:75342 |
| EC No. | 203-827-7 |
| DTXSID | DTXSID3042003 |
| Lokaler Name | 2,3-Dihydroxypropyloleat |
Chemische & physikalische Eigenschaften
| XLogP | 6,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 19 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 315 |
| Stoffklassen | Other Uses -> Emulsifiers/Surfactants |
| Lipide | Lipids -> Glycerolipids [GL] -> Monoradylglycerols [GL01] -> Monoacylglycerols [GL0101] |
| Duftstoffe | Fragrance Ingredient (9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol) -> IFRA transparency ListFragrance Ingredient (Glyceryl monooleate) -> IFRA transparency List |
| Surfactants | Surfactant |
| Geruch | SWEET |
| Geschmack | FATTY TASTE |
| Lebensmittelzusatzstoffe | ANTICAKING AGENT OR FREE-FLOW AGENT, DRYING AGENT, EMULSIFIER OR EMULSIFIER SALT, FLAVORING AGENT OR ADJUVANT, HUMECTANT -> FDA Substance added to food |
| Dichte | 0.9420 @ 20 °C/4 °C0.925-0.9350.9407 g/cm3 (35 ºC) |
| Color/Form | PLATES FROM ETHANOLYELLOW OIL OR SOFT SOLID |
| Löslichkeit | INSOL IN WATERSOL IN ETHANOL, ETHER, CHLOROFORMinsoluble in watersoluble in hot organic solventssoluble in hot alcohol (in ethanol)chloroform: 50 mg/mL, clear, colorless |
| Siedepunkt | 238-240 °C AT 3 MM HG250 °C (8 mmHg)409.35°C (rough estimate) |
| Schmelzpunkt | 25 °C (UNSTABLE)MELTING POINT: 32 °C (UNSTABLE) /PRIMARY BETA FORM/35.5 °C (STABLE) /BETA FORM/35-37 °C |
| Brechungsindex | 1.46384 (589.3 nm 35℃) |
| FEMA | 2526 | GLYCERYL MONOOLEATE |
| Flammpunkt | 180 °C |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 13.16±0.20(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Geruch | bland fatty waxy |
| Geruchsart | bland |
| Biologische Quelle | synthetic (organic) |
| JECFA Number | 919 |
| BRN | 1728976 |
| Stabilität | Hygroscopic |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMINGSURFACTANT - EMULSIFYINGSKIN CONDITIONING - EMOLLIENT |
| InChI | 1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9- |
| InChIKey | RZRNAYUHWVFMIP-KTKRTIGZSA-N |
| SMILES | O=C(CCCCCCC/C=C\CCCCCCCC)OCC(O)CO |
| LogP (Verteilungskoeffizient) | 6.71 |
| CAS Datenbank | 111-03-5(CAS DataBase Reference) |
| EPA chemische Informationen | Glycerol monooleate (111-03-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 96.9% (492 of 508) of all reports.Not ClassifiedAggregated GHS information provided per 508 reports by companies from 5 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 100% (260 of 260) of all reports.Aggregated GHS information provided per 260 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-9-Octadecenoic acid (9Z)-, monoester with 1,2,3-propanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid (9Z)-, 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)1-Glyceryl monooleate: Does not have an individual approval but may be used under an appropriate group standardGlyceryl monooleate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 9-Octadecenoic acid, monoester with 1,2,3-propanetriol, (Z)-: Human health tier I assessment |
| Gefahrenübersicht | May cause mild irritation[MSDSonline] |
| FDA-Anforderungen | SYNTHETIC FLAVOR INGREDIENTS- GLYCERYL MONOOLEATE: REGULATION 172.515.REGULATION FDA 121.1164LIMITATIONS: SYNTHETIC FLAVOR. |
| EPA Safer Chemical | Chemical: Glyceryl monooleateChemical: Glyceryl monooleate [NF] |
| Hazard Classes and Categories | Not Classified |
| Human Toxicity Excerpts | TREATMENT OF HUMAN ERYTHROCYTE GHOST MEMBRANES WITH THE FUSOGENIC LIPID GLYCEROL MONOOLEATE INCREASED THE FLUIDITY OF THE MEMBRANE LIPIDS, BUT THE NONFUSOGENIC LIPID GLYCEROL MONOSTEARATE HAD NO EFFECT.IF ANY OF THESE ESTERS IS SIGNIFICANTLY TOXIC, THE ACID PORTION MUST BE HELD RESPONSIBLE, NOT THE GLYCEROL. /GLYCEROL ESTERS/ |
Anwendungen & Verwendung
Verwenden
Glyceryl Monooleate is a flavoring agent that is prepared by esterification of commercial oleic acid that is derived either from edible sources or from tall oil fatty acids. It contains and glyceryl esters of fatty acids present in commercial oleic acid. The ingredient is also used as an adjuvant and as a solvent and vehicle.
Herstellung & Synthese
synthetische
Glyceryl Monooleate is produced by esterification of Glycerin with Oleic acid in presence of a suitable catalyst.