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Piperidin
Piperdine · PIP · Piperidin · HEXAHYDROPYRIDINE · PPR · FEMA 2908 · Cyclopentimine · azacyclohexane
Identifikatoren & physikalische Daten
| CAS No. | 110-89-4 |
|---|---|
| Summenformel | C5H11N |
| Durchschnittliche Molmasse | 85,15 g/mol |
| Monoisotopische Masse | 85,08914935 g/mol |
| SMILES | C1CCNCC1 |
| InChIKey | NQRYJNQNLNOLGT-UHFFFAOYSA-N |
| PubChem CID | 8082 |
| ChEMBL | CHEMBL15487 |
| ChEBI | CHEBI:18049 |
| EC No. | 203-813-0 |
| DTXSID | DTXSID6021165 |
| Lokaler Name | Piperidin |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 12 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 30,9 |
| Stoffklassen | Nitrogen Compounds -> Amines, CyclicFlammable agents - 3rd degree |
| pH | Strong base12.6 (100g/l, H2O, 20°C) |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Duftstoffe | Fragrance Ingredient (Piperidine) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | log Kow = 0.84 |
| Geruch | AMINE-LIKE ODORHEAVY, SWEET, FLORAL, ANIMAL ODOROdor of pepper |
| Geschmack | BURNING PEPPERY TASTE |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.8622 at 68 °F (EPA, 1998) - Less dense than waterwill float0.8622 at 20 °C/4 °CRelative density (water = 1): 0.860.858-0.8620.8622 @25 °C0.930 g/mL at 20 °C |
| Aromastoffe | EU Flavoring substances |
| Color/Form | CLEAR, COLORLESS LIQUID |
| Löslichkeit | Miscible (NTP, 1992)Miscible in ethanolsoluble in ethyl ether, acetone, benzene, chloroformMiscible in water1000 mg/mL at 20 °CSolubility in water: miscibleSoluble in water, ethermiscible in water and alcoholsoluble in ether, acetone, benzene and chloroform maximum allowable concentration: not establishedmore toxic, irritating and volatile than pyridine (Reinhardt and Brittelli 1981). |
| Schmelzpunkt | -11 °C |
| Siedepunkt | 106 °C(lit.) |
| Dampfdichte | 3 (vs air) |
| Dampfdruck | 23 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.452(lit.) |
| FEMA | 2908 | PIPERIDINE |
| Flammpunkt | 16 °C(lit.) |
| Lagerbedingungen | Store in dark! |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 11.123(at 25℃) |
| Farbe | APHA: ≤50 |
| Geruch | at 1.00 % in propylene glycol. heavy sweet floral animal |
| Explosionsgrenze | 1.5-10.3%(V) |
| Geruchsart | animal |
| Biologische Quelle | synthetic |
| Spezifische Wärmekapazität | Cp(liquid): 2.11 J/(g·K), at 25℃ |
| JECFA Number | 1607 |
| Merck | 14,7468 |
| BRN | 102438 |
| Henry-Konstante | 2.8×100 mol/(m3Pa) at 25℃, Bernauer and Dohnal (2009) |
| Dielektrizitätskonstante | 5.9(20℃) |
| Stabilität | Stable. Highly flammable. Incompatible with strong oxidizing agents, strong acids, organic acids, water. Vapours may flow along surfaces to a distant source of ignition. |
| InChI | 1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2 |
| InChIKey | NQRYJNQNLNOLGT-UHFFFAOYSA-N |
| SMILES | C1CCNCC1 |
| LogP (Verteilungskoeffizient) | 0.61 |
| Oberflächenspannung | 30.27mN/m at 293.15K |
| CAS Datenbank | 110-89-4(CAS DataBase Reference) |
| NIST chemische Informationen | Piperidine(110-89-4) |
| EPA chemische Informationen | Piperidine (110-89-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225: Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: PiperidineList I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02)Regulation (EC) No 1831/2003 (amended)Piperidine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Piperidine 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: 03-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13488Piperidine: HSNO Approval: HSR001260 Approved with controls |
| Weitere Sicherheitsinformationen | IMAP assessments - Piperidine: Human health tier II assessment |
| DOT-Kennzeichnung | Corrosive Flammable Liquid |
| Brandgefahren | Piperidine evolves explosive concentrations of vapor at normal room temperatures. When heated to decomposition, it emits highly toxic fumes of nitrogen oxides. Dangerous, when exposed to heat, flame, or oxidizers. Avoid 1-Perchlorylpiperidine and oxidizing materials. Piperidine is a reactive compound and forms complexes with the salts of heavy metals. It evolves explosive concentrations of vapor at normal room temperatures. Keep away from igniting sources and heat. (EPA, 1998)· Flammable/combustible material.Highly flammable. Vapour/air mixtures are explosive. |
Anwendungen & Verwendung
Occurrence
Piperidine occurs at low levels in a variety of food products (Neurath et al 1977), including baked ham (0.2 p.p.m.), milk (0.11 p.p.m.) coffee (1 p.p.m. dry) (Singer and Lijinsky 1976) and canned fish (Tanikawa and Motohiro 1960). It is also found in black pepper (Windholz 1983), hemp (Obata and Ishikawa 1960), hemlock (Cromwell 1956) and tobacco (Furia and Bellanca 1975). Piperidine is a natural constituent of skin (Sax and Lewis 1987), human urine (Von Euler 1944), brain (Honegger and Honegger 1960) and cerebrospinal fluid (Perry et al 1964). Humans excrete about 3-20 mg/d in the urine (Reinhardt and Britelli 1981).
Verwenden
Piperidine is an organic heterocyclic amine widely used as building block and reagent in the synthesis of organic compounds including pharmaceuticals.
Herstellung & Synthese
synthetische
Usually prepared by electrolytic reduction of pyridine.