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2-Piperidinoethanol
1-(2-HYDROXYETHYL)PIPERIDINE · PPOH · NSC 3460 · AKOS BBS-00004365 · PIPERIDINOETHANOL · BUTTPARK 154\16-41 · 2-PIPERIDINETHANOL · β-Piperidylethanol
Identifikatoren & physikalische Daten
| CAS No. | 3040-44-6 |
|---|---|
| Summenformel | C7H15NO |
| Durchschnittliche Molmasse | 129,2 g/mol |
| Monoisotopische Masse | 129,1153641 g/mol |
| SMILES | OCCN1CCCCC1 |
| InChIKey | KZTWONRVIPPDKH-UHFFFAOYSA-N |
| PubChem CID | 18232 |
| ChEMBL | CHEMBL118227 |
| ChEBI | CHEBI:61238 |
| EC No. | 221-244-6 |
| DTXSID | DTXSID4062808 |
| Lokaler Name | 2-Piperidinoethanol |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 69,3 |
| SpringerMaterials Properties | Chemical shift |
| Physical Description | Liquid |
| Schmelzpunkt | 16°C |
| Siedepunkt | 199-202 °C (lit.) |
| Dichte | 0.973 g/mL at 25 °C (lit.) |
| Dampfdruck | 1.3 hPa @ 40°C |
| Brechungsindex | n20/D 1.4804(lit.) |
| Flammpunkt | 156 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform, Methanol (Slightly) |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.00±0.10(Predicted) |
| Wichte | 0.98 |
| Farbe | Clear slightly brown |
| Explosionsgrenze | 1.2-7.2 |
| BRN | 103390 |
| Henry-Konstante | 5.1×101 mol/(m3Pa) at 25℃, Du et al. (2017) |
| InChI | 1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2 |
| InChIKey | KZTWONRVIPPDKH-UHFFFAOYSA-N |
| SMILES | OCCN1CCCCC1 |
| LogP (Verteilungskoeffizient) | 0.62 at 25℃ |
| CAS Datenbank | 3040-44-6(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Piperidineethanol(3040-44-6) |
| EPA chemische Informationen | 1-Piperidineethanol (3040-44-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302+H312 (62.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 166 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H227: Combustible liquid [Warning Flammable liquids] |
|---|---|
| Regulatorische Informationen | 1-Piperidineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperidineethanol 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: 30-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/26699 |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Flammable liquids - Category 4 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN2735 |
| Zollcode | 29333999 |
| RTECS-Nr. | TM8052000 |
| R-Sätze (R) | 22-36/37/38 |
| Toxizität | cat,LDLo,oral,250mg/kg (250mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Journal of Pharmacology and Experimental Therapeutics. Vol. 55, Pg. 419, 1935. |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39 |
| Gefahrenklasse | 8Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
1-Piperidineethanol (cas# 3040-44-6) is a compound useful in organic synthesis.