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Cholinhydroxid
CHOLINE · Choline hydroxide solution · vidine · CHOLINE BASE · Choline hydroxide, 45 wt.% aqueous solution, stabilized, pure · fagine · bursine · SKL1388
Identifikatoren & physikalische Daten
| CAS No. | 123-41-1 |
|---|---|
| Summenformel | C5H15NO2 |
| Durchschnittliche Molmasse | 121,18 g/mol |
| Monoisotopische Masse | 121,11027872 g/mol |
| SMILES | C[N+](C)(C)CCO.[OH-] |
| InChIKey | KIZQNNOULOCVDM-UHFFFAOYSA-M |
| PubChem CID | 31255 |
| ChEMBL | CHEMBL3187547 |
| EC No. | 204-625-1 |
| DTXSID | DTXSID9047467 |
| Lokaler Name | Cholinhydroxid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 21,2 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 46 |
| Physical Description | Liquid45% aqueous solution: Brown viscous liquid[Acros Organics MSDS] |
| Schmelzpunkt | 236~239℃ |
| Dichte | 1.09 g/mL at 20 °C |
| Dampfdruck | 28.284hPa at 25℃ |
| Brechungsindex | n20/D 1.4304 |
| Flammpunkt | 92 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Water (easy), ethanol (difficult to dissolve (1-pentanol)), ether (insoluble)miscible |
| Aggregatzustand | Granular Powder |
| pKa (Säurekonstante) | 13.9(at 25℃) |
| Farbe | White |
| Merck | 14,2204 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C5H14NO.H2O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H31H2/q+1/p-1 |
| InChIKey | KIZQNNOULOCVDM-UHFFFAOYSA-M |
| SMILES | [OH-].C[N+](C)(C)CCO |
| LogP (Verteilungskoeffizient) | -2.25 at 25℃ |
| CAS Datenbank | 123-41-1(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (123-41-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (99.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (69%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (20.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H373 (20.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 352 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxideEthanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) 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: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5289Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide: 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. |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Gefahrenübersicht | Causes convulsions and dyspnea in intravenous lethal-dose studies of mice (LD50 = 21.4 mg/kg)[RTECS] 45% aqueous solution: Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungs[Acros Organics MSDS] |
| Hazard Classes and Categories | Skin Corr. 1B (99.7%)Eye Dam. 1 (69%)STOT SE 3 (20.5%)STOT RE 2 (20.2%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| F | 8-9-23 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3286 3/PG 2 |
| Zollcode | 29231000 |
| RTECS-Nr. | GA4025500 |
| R-Sätze (R) | 34-35-43-39/23/24/25-23/24/25-10-R35 |
| Gefahrensymbole | C,T |
| Sicherheitshinweise (S) | 26-36/37/39-45-S45-S36/37/39-S26 |
| Gefahrenklasse | 8Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralCarc. 1BEye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 1 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Choline hydroxide is used as a precursor molecule for the neurotransmitter acetylcholine, it is involved in several functions including muscle and memory muscle control. It was used as a basic catalyst for aldol condensation reactions.