HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3-Bis(hydroxymethyl)harnstoff
N,N'-Bis(hydroxymethyl)urea · Caurite · Metural · Ureol P · Carbamol · Kaurit S · Methural · Methurin
Identifikatoren & physikalische Daten
| CAS No. | 140-95-4 |
|---|---|
| Summenformel | C3H8N2O3 |
| Durchschnittliche Molmasse | 120,11 g/mol |
| Monoisotopische Masse | 120,05349212 g/mol |
| SMILES | O=C(NCO)NCO |
| InChIKey | QUBQYFYWUJJAAK-UHFFFAOYSA-N |
| PubChem CID | 8827 |
| ChEMBL | CHEMBL3185052 |
| ChEBI | CHEBI:134755 |
| EC No. | 205-444-0 |
| DTXSID | DTXSID6025141 |
| Lokaler Name | 1,3-Bis(hydroxymethyl)harnstoff |
Chemische & physikalische Eigenschaften
| XLogP | -1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 81,6 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 66,9 |
| Stoffklassen | Other Uses -> Biocides/Disinfectants |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Dampfdruck | 0.00000399 [mmHg] |
| Physical Description | Liquid |
| Collision Cross Section | 151.7 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6025141] |
| Schmelzpunkt | 125 °C (dec.)(lit.) |
| Siedepunkt | 224.08°C (rough estimate) |
| Dichte | 1.34 |
| Brechungsindex | 1.4610 (estimate) |
| Flammpunkt | 100 °C |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 12.14±0.46(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Almost white |
| Löslichkeit | 150 g/L |
| Merck | 14,6968 |
| BRN | 1811870 |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIMICROBIAL |
| InChI | 1S/C3H8N2O3/c6-1-4-3(8)5-2-7/h6-7H,1-2H2,(H2,4,5,8) |
| InChIKey | QUBQYFYWUJJAAK-UHFFFAOYSA-N |
| SMILES | OCNC(=O)NCO |
| LogP (Verteilungskoeffizient) | -2.610 (est) |
| CAS Datenbank | 140-95-4(CAS DataBase Reference) |
| NIST chemische Informationen | Dimethanolurea(140-95-4) |
| EPA chemische Informationen | Dimethylolurea (140-95-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 48.4% (104 of 215) of reports.WarningH319 (51.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 215 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Urea, N,N'-bis(hydroxymethyl)-Urea, N,N'-bis(hydroxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Urea, N,N'-bis(hydroxymethyl)- 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: 1,3-bis(hydroxymethyl)urea (EC: 205-444-0)Carbamol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A formaldehyde releaser, dimethylol urea can cause allergic contact dermatitis in workers handling durable press chemical finishes used on fabrics for wrinkle resistanceCases were reported in the 1950s before the textile industry started using finishes releasing less formaldehyde[Kanerva, p. 397-408] |
| Hazard Classes and Categories | Eye Irrit. 2 (51.2%) |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29241990 |
| RTECS-Nr. | YS2716350 |
| R-Sätze (R) | 45 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 24/25-45-53 |
| Lagerklasse |
Anwendungen & Verwendung
Verwenden
In the textile industry in cotton crease- and shrink-proofing, finishing, drying, sizing; in tanning; pesticides; in photographic developers.