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1-Methyl-2-pyrrolidon
NMP · N-METHYLPYRROLIDONE · 1-methyl-pyrrolidin-2-one · 1-METHYL-2-PYRROLIDINONE · 1-METHYL-2-PYRROLIDONE · 1-Methylpyrrolidin-2-one · N-METHYL-2-PYRROLIDINONE · N-METHYLPYRROLIDINONE
Identifikatoren & physikalische Daten
| CAS No. | 30207-69-3 |
|---|---|
| Summenformel | C5H9NO |
| Durchschnittliche Molmasse | 99,13 g/mol |
| Monoisotopische Masse | 99,06841391 g/mol |
| SMILES | CN1CCCC1=O |
| InChIKey | SECXISVLQFMRJM-UHFFFAOYSA-N |
| PubChem CID | 13387 |
| ChEMBL | CHEMBL12543 |
| ChEBI | CHEBI:7307 |
| EC No. | 212-828-1 |
| DTXSID | DTXSID6020856 |
| Lokaler Name | 1-Methyl-2-pyrrolidon |
Chemische & physikalische Eigenschaften
| XLogP | -0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 90,1 |
| Stoffklassen | TeratogensIndustrial compound |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Solvents | Solvents -> Other Solvents |
| Kosmetika | Surfactant |
| pH | pH = 7.7-88.5-10.0 (100g/l, H2O, 20℃) |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | log Kow = -0.38-0.54 |
| Geruch | Mild amine odor |
| Dichte | 1.03 at 77 °F (USCG, 1999) - Denser than waterwill sink1.027 at 25 °C/25 °CRelative density (water = 1): 1.031.027 @25 °C1.028 g/mL at 25 °C (lit.) |
| Viscosity | 1.65 cP at 25 °C1.62 mm²/s at 25 °C |
| Color/Form | Clear liquid |
| Löslichkeit | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)Miscible with water, alcohol, ether, acetone, ethyl acetate, chloroform, benzeneMiscible with castor oilMiscible with lower alcohols and ketonesModerately soluble in aliphatic hydrocarbons and dissolves many organic and inorganic compounds.Solubility in water: miscibleethanol: miscible0.1ML/mL, clear, colorless (10%, v/v)>=10 g/100 mL at 20 ºC |
| Schmelzpunkt | -24 °C (lit.) |
| Siedepunkt | 202 °C (lit.) 81-82 °C/10 mmHg (lit.) |
| Dampfdichte | 3.4 (vs air) |
| Dampfdruck | 0.29 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.479 |
| Flammpunkt | 187 °F |
| Lagerbedingungen | Store at +5°C to +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | -0.41±0.20(Predicted) |
| Farbe | ≤20(APHA) |
| Geruch | Slight amine odor |
| Explosionsgrenze | 1.3-9.5%(V) |
| Spezifische Wärmekapazität | Cp(liquid): 3.11 J/(g·K), at 25℃ |
| Merck | 14,6117 |
| BRN | 106420 |
| Henry-Konstante | 3.1×103 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 32.200000000000003 |
| Stabilität | Stable, but decomposes upon exposure to light. Combustible. Incompatible with strong oxidizing agents, strong acids, reducing agents, bases. |
| Hauptanwendungen | food and beverages |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENT |
| InChI | 1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3 |
| InChIKey | SECXISVLQFMRJM-UHFFFAOYSA-N |
| SMILES | CN1CCCC1=O |
| LogP (Verteilungskoeffizient) | -0.46 at 25℃ |
| Oberflächenspannung | 41.3mN/m at 293.15K |
| CAS Datenbank | 872-50-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Pyrrolidinone, 1-methyl-(872-50-4) |
| EPA chemische Informationen | N-Methyl-2-pyrrolidone (872-50-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315: Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 2679) of reports.H315 (> 99.9%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| Regulatorische Informationen | Chemical: 2-Pyrrolidinone, 1-methyl-Hazard Traits - Developmental ToxicityReproductive ToxicityCouncil Directive (EEC) No 109/1989 (Repealed by Reg. EC No 1935/2004 (amended))2-Pyrrolidinone, 1-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Pyrrolidinone, 1-methyl- 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: 28-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15493Restricted substance: 1-methyl-2-pyrrolidone |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Pyrrolidinone, 1-methyl-: Human health tier III assessment |
| DOT-Kennzeichnung | Combustible Liquid |
| Brandgefahren | Special Hazards of Combustion Products: Toxic oxides of nitrogen may be formed in fire. (USCG, 1999)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Above 86 °C explosive vapour/air mixtures may be formed. |
| Brandpotenzial | Combustible when exposed to heat, open flame, or powerful oxidizers. |
| Gesundheitsgefahren | Inhalation of hot vapors can irritate nose and throat. Ingestion causes irritation of mouth and stomach. Contact with eyes causes irritation. Repeated and prolonged skin contact produces a mild, transient irritation. (USCG, 1999) |
| Gefahrenübersicht | It is absorbed through the skina severe eye irritant |
Anwendungen & Verwendung
Beschreibung
N-Methyl-2-pyrrolidone is an aprotic solvent with a wide range of applications: petrochemical processing, surface coating, dyes and pigments, industrial and domestic cleaning compounds, and agricultural and pharmaceutical formulations. It is mainly an irritant, but has also caused several cases of contact dermatitis in a small electrotechnical company.
Verwenden
N-Methyl-2-pyrrolidone is a polar solvent that is used in organic chemistry and polymer chemistry. Large scale applications include the recovery and purification of acetylenes, olefins, and diolefins, gas purification, and aromatics extraction from feedstocks.N-Methyl-2-pyrrolidone is a versatile industrial solvent. NMP is currently approved for use only in veterinary pharmaceuticals. The determination of the disposition and metabolism of NMP in the rat will contribute toward understanding the toxicology of this exogenous chemical which man may likely be exposed to in increasing amounts.