2,2,6,6-Tetramethyl-4-piperidon

TEMP · TAA · 2,2,6,6-TETRAMETHYL-4-PIPERIDONE · TETRAMETHYLPIPERIDINONE · 2,2,6,6-TETRAMETHYL-4-PIPERIDINONE · TRIACETONEAMINE · DL-2 · Vincubine

https://huagongshe.com/de/chemical/13220

Molekülstruktur von 2,2,6,6-Tetramethyl-4-piperidon

Identifikatoren & physikalische Daten

CAS No.	826-36-8
Summenformel	C9H17NO
Durchschnittliche Molmasse	155,24 g/mol
Monoisotopische Masse	155,13101417 g/mol
SMILES	CC1(C)CC(=O)CC(C)(C)N1
InChIKey	JWUXJYZVKZKLTJ-UHFFFAOYSA-N
PubChem CID	13220
ChEMBL	CHEMBL117614
ChEBI	CHEBI:177813
EC No.	212-554-2
DTXSID	DTXSID4041527
Lokaler Name	2,2,6,6-Tetramethyl-4-piperidon

Chemische & physikalische Eigenschaften

XLogP	0,5
Polarare Oberfläche (TPSA)	29,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	164
Schmelzpunkt	34.9 °C59-61 °C
Physical Description	Solid
Dissociation Constants	7.9
Siedepunkt	105-105°C/18mm
Dichte	0.9796 (rough estimate)
Brechungsindex	1.4680 (estimate)
Flammpunkt	73°C
Lagerbedingungen	2-8°C
Löslichkeit	DMSO, Methanol249g/L at 20℃
pKa (Säurekonstante)	9.20±0.60(Predicted)
Aggregatzustand	Solid
Farbe	Pale Orange to Light Brown
InChI	1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
InChIKey	JWUXJYZVKZKLTJ-UHFFFAOYSA-N
SMILES	CC1(C)CC(=O)CC(C)(C)N1
LogP (Verteilungskoeffizient)	1.32 at 25℃
CAS Datenbank	826-36-8(CAS DataBase Reference)
NIST chemische Informationen	4-Piperidinone, 2,2,6,6-tetramethyl-(826-36-8)
EPA chemische Informationen	4-Piperidinone, 2,2,6,6-tetramethyl- (826-36-8)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH290 (77.1%): May be corrosive to metals [Warning Corrosive to Metals]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (79.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (20.8%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (79.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (77.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (20.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (20.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (79.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P234, 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, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 192 reports by companies from 7 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	Status: Active Update: 13-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/144102,2,6,6-Tetramethyl-4-piperidone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Met. Corr. 1 (77.1%)Acute Tox. 4 (100%)Skin Corr. 1B (79.2%)Skin Irrit. 2 (20.8%)Skin Sens. 1 (79.2%)Eye Dam. 1 (77.1%)Eye Irrit. 2 (20.8%)

Anwendungen & Verwendung

Beschreibung

Triacetonamine (CAS 826-36-8), also known as 2,2,6,6-tetramethyl-4-piperidone or TAA, is a key intermediate in the synthesis of HALS (hindered amine light stabilisers); Their ability to effectively inhibit polymer degradation by scavenging free radicals is based on their sterically hindered amine functional groups, which are capable of forming stable N-oxides as active intermediates (the Denysov cycle). TAA is also used in the synthesis of pharmaceuticals, piperidine nitroso radicals and pyrrolidone derivatives. For example, the oxidation of TAA or its derivatives yields the corresponding tetramethylpiperidine-N-oxide, namely TEMPO; the latter can be used as a polymerisation inhibitor, molecular weight regulator or oxidation catalyst[2].

Verwenden

2,2,6,6-Tetramethyl-4-piperidinone (cas# 826-36-8) is a compound useful in organic synthesis.