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Dodecyldihydrogenphosphat
LAURYL PHOSPHATE · mono-n-DodecyL · DODECYL PHOSPHATE · Lauryl acid phosphate · mono-lauryl phosphate · Chrome mist inhibitor · DODECYLPHOSPHORIC ACID · MONO-DODECYL PHOSPHATE
Identifikatoren & physikalische Daten
| CAS No. | 2627-35-2 |
|---|---|
| Summenformel | C12H27O4P |
| Durchschnittliche Molmasse | 266,31 g/mol |
| Monoisotopische Masse | 266,16469597 g/mol |
| SMILES | CCCCCCCCCCCCOP(=O)(O)O |
| InChIKey | TVACALAUIQMRDF-UHFFFAOYSA-N |
| PubChem CID | 75816 |
| ChEMBL | CHEMBL187711 |
| EC No. | 220-095-4 |
| DTXSID | DTXSID70880492 |
| Lokaler Name | Dodecyldihydrogenphosphat |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 203 |
| Stoffklassen | Other Classes -> Organophosphates, Other |
| Kosmetika | Cosmetic ingredients (Lauryl Phosphate) -> CIR (Cosmetic Ingredient Review)Emulsifying |
| Physical Description | White odorless crystals[Alfa Aesar MSDS] |
| Schmelzpunkt | 39-45°C |
| Siedepunkt | 385.5±25.0 °C(Predicted) |
| Dichte | 1.056±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 1.95±0.10(Predicted) |
| Aggregatzustand | White to off-white solid. |
| Löslichkeit | Insoluble in water. |
| BRN | 1710518 |
| InChI | 1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15) |
| InChIKey | TVACALAUIQMRDF-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCOP(O)(O)=O |
| CAS Datenbank | 2627-35-2(CAS DataBase Reference) |
| EPA chemische Informationen | Monolauryl phosphate (2627-35-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (14.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Phosphoric acid, monododecyl esterPhosphoric acid, monododecyl 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. |
| Gefahrenübersicht | Powder causes eye irritation[Alfa Aesar MSDS] See Monooctyl phosphate. |
| Hazard Classes and Categories | Skin Corr. 1B (14.3%) |
| Toxizitätsübersicht | The CIR Expert Panel concluded the following 28 alkyl phosphates are safe in the present practices of use and concentration in cosmetics when formulated to be non-irritating...Lauryl Phosphate...Safe for use in cosmetics, with qualifications |
| Wassergefährdungsklasse (WGK) | WGK 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3261 |
| R-Sätze (R) | 36/37/38-43-41-37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
Anwendungen & Verwendung
Verwenden
mono-n-Dodecyl phosphate is a lysophosphatidic acid (LPA) receptor ligand which serves as a specific agonist at EDG-4 (LPA2) (EC50=700 nM) and antagonist at EDG-7