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2,2-Bis(hydroxymethyl)propionsure
DMPA · DIMETHYLOLPROPIONIC ACID · 3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid · Bis-MPA · Bis(hydroxymethyl)propionic acid · DiMethylol Propionic · 2,2-DIMETHYLOLPROPIONIC ACID · 2,2-Bis(methylol)propionic acid
Identifikatoren & physikalische Daten
| CAS No. | 4767-03-7 |
|---|---|
| Summenformel | C5H10O4 |
| Durchschnittliche Molmasse | 134,13 g/mol |
| Monoisotopische Masse | 134,0579088 g/mol |
| SMILES | CC(CO)(CO)C(=O)O |
| InChIKey | PTBDIHRZYDMNKB-UHFFFAOYSA-N |
| PubChem CID | 78501 |
| ChEMBL | CHEMBL3183172 |
| ChEBI | CHEBI:177432 |
| EC No. | 225-306-3 |
| DTXSID | DTXSID4027577 |
| Lokaler Name | 2,2-Bis(hydroxymethyl)propionsure |
Chemische & physikalische Eigenschaften
| XLogP | -1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 77,8 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 106 |
| SpringerMaterials Properties | Fusion temperature |
| Food Contact Substances | FCS -> FDA Cumulative Estimated Daily Intake (CEDI)FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFRFCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications |
| Schmelzpunkt | 189-191 °C(lit.) |
| Siedepunkt | 167.23°C (rough estimate) |
| Dichte | 0.84 |
| Dampfdichte | <1 (vs air) |
| Brechungsindex | 1.4240 (estimate) |
| Flammpunkt | >150°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | H2O: soluble |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 4.16±0.15(Predicted) |
| Farbe | White |
| pH | 2.6 (50g/l, H2O, 20℃) |
| Merck | 14,3253 |
| BRN | 1756385 |
| Stabilität | Stable. Hygroscopic. |
| InChI | 1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9) |
| InChIKey | PTBDIHRZYDMNKB-UHFFFAOYSA-N |
| SMILES | CC(CO)(CO)C(O)=O |
| CAS Datenbank | 4767-03-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2,2-Bis(hydroxymethyl)propionic acid(4767-03-7) |
| EPA chemische Informationen | Dimethylolpropionic acid (4767-03-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.8% (6 of 771) of reports.WarningH319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 771 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/131542,2-Bis (hydroxymethyl) propionic acid: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Eye Irrit. 2 (99.2%) |
| F | 3-9 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29159000 |
| RTECS-Nr. | UA2465265 |
| R-Sätze (R) | 36/37/38-36/37 |
| Toxizität | LD50 orally in Rabbit: > 2000 mg/kg |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2 |
| Selbstentzündungstemperatur | >300 °C |
Anwendungen & Verwendung
Verwenden
2,2-bis(hydroxymethyl)propionic acid (DMPA) is a versatile organic materials. it is used as water-based polyurethane chain extender, also make the polyurethane obtained from emulsifying properties, excellent stability can be made self-emulsifying aqueous polyurethane. For preparation a photosensitive resin and liquid crystal materials; for epoxy ester coatings, polyurethane elastomers and powder coatings; Preparation of magnetic recording materials and adhesives etc..