1,2,2,6,6-Pentamethylpiperidin-4-ol

4-Piperidinol, 1,2,2,6,6-pentamethyl-

HCID 75472CAS 2403-89-6

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Grundinformationen

Standard-SMILES: CN1C(C)(C)CC(O)CC1(C)C
InChIKey: NWHNXXMYEICZAT-UHFFFAOYSA-N
Summenformel: C10H21NO
Durchschnittliche Molmasse: 171,28 g/mol
Monoisotopische Masse: 171,16231429

Namen und Bezeichner

Bevorzugter Name: 4-Piperidinol, 1,2,2,6,6-pentamethyl-
IUPAC: 1,2,2,6,6-pentamethylpiperidin-4-ol
Lokaler Name: 1,2,2,6,6-Pentamethylpiperidin-4-ol
Englischer Name: 1,2,2,6,6-Pentamethyl-4-piperidinol
Summenformel: C10H21NO
Molmasse: 171.28

Namen und Synonyme

1,2,2,6,6-Pentamethylpiperidin-4-ol2403-89-61,2,2,6,6-Pentamethyl-4-piperidinol4-Piperidinol, 1,2,2,6,6-pentamethyl-DTXSID30444111,2,2,6,6-Pentamethyl-4-hydroxypiperidineLR520BAM5VNSC 364075EINECS 219-292-8NSC-364075DTXCID1024411EC 219-292-8

Weitere Namen anzeigen

PentamethylpiperidinolHOPEMPMETHYL-TAA-OLPentamethylpyridinol1,2,2,6,6-Pentamethy5-MethylpiperidineAlcohol1,2,2,6,6-Pentamethyl-4-piperiN-Methyltriacetoneaminoalcohol

RefChem:526533219-292-84-Hydroxy-1,2,2,6,6-pentamethylpiperidineMFCD00191220STK6885891,2,2,6,6-penta-methylpiperidin-4-ol1,2,2,6,6-pentamethyl-piperidin-4-olSY052631

Datenbank-Bezeichner

CAS: 2403-89-6
PubChem CID: 75472
DTXSID: DTXSID3044411
ChEMBL: CHEMBL3186101
UNII: LR520BAM5V
EC Number: 219-292-8
Nikkaji: J31.360B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 157

Experimentelle und physikochemische Eigenschaften

Collision Cross Section136.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3044411]

Physikochemische Eigenschaften

Schmelzpunkt: 72 · 72-76 °C
Siedepunkt: 238 °C · 238 °C
Dichte: 0.967 · 0.967
Dampfdruck: 0.845 Pa · 0.845Pa at 25℃
Brechungsindex: 1.4621 · 1.4621 (estimate)
Flammpunkt: 118 °C · 118 °C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Flakes
pka: 14.93 · 14.93±0.60(Predicted)
Farbe: Light yellow
Wasserlöslichkeit: 4.8 g/100 · 4.8 g/100 mL (20 ºc)
BRN: 1498 · 1498
InChI: 1S/C10H21NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h8,12H,6-7H2,1-5H3
InChIKey: NWHNXXMYEICZAT-UHFFFAOYSA-N
SMILES: CN1C(C)(C)CC(O)CC1(C)C
LogP: 1.15 at · 1.15 at 25℃
CAS Datenbank: 2403 · 2403-89-6(CAS DataBase Reference)
EPA chemische Informationen: 4 · 4-Piperidinol, 1,2,2,6,6-pentamethyl- (2403-89-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 4.5% (12 of 269) of reports.

Danger

H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 269 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 03-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12392

4-Piperidinol, 1,2,2,6,6-pentamethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (95.2%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN3261 - class 8 - PG 1 - EHS - Corrosive solid, acidic, organic, n.o.s., HI: all
hs_code: 29333990
risk_code: 43-34-22-51/53
hazard_code: Xi,C,N,Xn
safety_code: 36/37-45-36/37/39-26-61
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Skin Corr. 1ASkin Sens. 1

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information4-Piperidinol, 1,2,2,6,6-pentamethyl-: ACTIVE

Anwendungen

Verwenden1,2,2,6,6-Pentamethyl-4-piperidinol is used in the synthesis of PDGFR kinase inhibitors. Also, it can be applied to the preparation of a new diol-functionalized amine light stabilizer.