Pentaerythrittetrakis(3-mercaptopropionat)
PETMP · PENTAERYTHRITOL TETRAKIS(3-MERCAPTOPROPIONATE) · Monomer-PETMP · UV monomer PETMP · Pentaerythritol Tetra · pentaerythritol tetrakis-thiopropionate · Q 43 · QX 40
Identifikatoren & physikalische Daten
| CAS No. | 7575-23-7 |
|---|---|
| Summenformel | C17H28O8S4 |
| Durchschnittliche Molmasse | 488,7 g/mol |
| Monoisotopische Masse | 488,06670186 g/mol |
| SMILES | O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS |
| InChIKey | JOBBTVPTPXRUBP-UHFFFAOYSA-N |
| PubChem CID | 82056 |
| ChEMBL | CHEMBL3183062 |
| EC No. | 231-472-8 |
| DTXSID | DTXSID1044728 |
| Lokaler Name | Pentaerythrittetrakis(3-mercaptopropionat) |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 109 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 12 |
| Frei drehbare Bindungen | 20 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 436 |
| Physical Description | Liquid |
| Siedepunkt | 275 °C1 mm Hg(lit.) |
| Dichte | 1.28 g/mL at 25 °C(lit.) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | n20/D 1.531(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Löslichkeit | Practically insoluble in water3.69mg/L at 20℃ |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 8.99±0.10(Predicted) |
| Farbe | Colorless to Almost colorless |
| Wichte | 1.28 |
| BRN | 2312625 |
| Kosmetik-Inhaltsstoffe Funktionen | FILM FORMING |
| InChI | 1S/C17H28O8S4/c18-13(1-5-26)22-9-17(10-23-14(19)2-6-27,11-24-15(20)3-7-28)12-25-16(21)4-8-29/h26-29H,1-12H2 |
| InChIKey | JOBBTVPTPXRUBP-UHFFFAOYSA-N |
| SMILES | SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS |
| LogP (Verteilungskoeffizient) | 2.8 at 30℃ |
| CAS Datenbank | 7575-23-7(CAS DataBase Reference) |
| EPA chemische Informationen | Propanoic acid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl ester (7575-23-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P308+P316, P319, P321, P330, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 292 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl esterPropanoic acid, 3-mercapto-, 1,1'-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-mercapto-, 1,1'-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester 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)Status: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10120Propanoic acid, 3-mercapto-, 2,2-bis(3-mercapto-1-oxopropoxy)methyl-1,3-propanediyl 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. |
| Hazard Classes and Categories | Acute Tox. 4 (94.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3334 |
| Zollcode | 2930.90.9250 |
| R-Sätze (R) | 36/37/38-50/53-43-22 |
| Gefahrensymbole | Xi,N,Xn |
| Sicherheitshinweise (S) | 26-36-61-60-36/37 |
| Gefahrenklasse | 9Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Beschreibung
Pentaerythritol Tetra(3-mercaptopropionate), also known as pentaerythritol tetra-3-mercaptopropionate, pentaerythritol tetra (3-mercaptopropionate) (PETMP), colorless liquids, water-insoluble, and widely used as intermediates for organic synthesis, modifiers in polymerization reactions such as UV coatings, inks, adhesives, etc., crosslinking agents, acidic ion exchange catalysts, low-temperature curing agents, etc. At present, the main production mode is catalytic esterification of pentaerythritol and mercaptopropionic acid. The catalysts used are mostly methanesulfonic acid, p-toluenesulfonic acid, and the like, and the synthesized product has a tetraester content of less than 70%.
Verwenden
Pentaerythritol Tetra(3-mercaptopropionate) can be used for additives for hair treatments.