CAS 2403-89-6 4-Piperidinol, 1,2,2,6,6-pentamethyl- (HCID 75472)

Names & identifiers

Preferred name: 4-Piperidinol, 1,2,2,6,6-pentamethyl-
IUPAC: 1,2,2,6,6-pentamethylpiperidin-4-ol
English name: 1,2,2,6,6-Pentamethyl-4-piperidinol
Molecular formula: C10H21NO
Molecular weight: 171.28

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 157

Experimental & physicochemical properties

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

Physicochemical properties

Melting point: 72 · 72-76 °C
Boiling point: 238 °C · 238 °C
Density: 0.967 · 0.967
vapor pressure: 0.845 Pa · 0.845Pa at 25℃
refractive index: 1.4621 · 1.4621 (estimate)
Flash point: 118 °C · 118 °C
storage temp.: Sealed in dry,Room Temperature
form: Flakes
pka: 14.93 · 14.93±0.60(Predicted)
color: Light yellow
Water Solubility: 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 DataBase Reference: 2403 · 2403-89-6(CAS DataBase Reference)
FDA UNII: 520 BAM5V · LR520BAM5V
EPA Substance Registry System: 4 · 4-Piperidinol, 1,2,2,6,6-pentamethyl- (2403-89-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H314-H317-H411
Precautionary statements: 260 · P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xi,C,N,Xn
Risk Statements: 43 · 43-34-22-51/53
Safety Statements: 36 · 36/37-45-36/37/39-26-61
RIDADR: 3261 · UN3261 - class 8 - PG 1 - EHS - Corrosive solid, acidic, organic, n.o.s., HI: all
WGK Germany: 2 · 2
TSCA: TSCA listed
HS Code: 29333990 · 29333990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 2Skin Corr. 1ASkin Sens. 1
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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
Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
hazard_code: Xi,C,N,Xn
safety_code: 36/37-45-36/37/39-26-61
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H302-H314-H317-H411
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Skin Corr. 1ASkin Sens. 1
Precautionary statements: P260-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

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

Applications · 3 items

UsesReactant for: Synthesis of photostable blue emitting naphthalimides1 Synthesis of blue fluorescent naphthalimide pH chemosensors2 Synthesis of crowded piperidines with intramolecularly hydrogen-bonded nitrogen3 Synthesis of spiropyrans and spirooxazines4 Amine photoredox reactions5

UsesReactant for:Synthesis of photostable blue emitting naphthalimidesSynthesis of blue fluorescent naphthalimide pH chemosensorsSynthesis of crowded piperidines with intramolecularly hydrogen-bonded nitrogenSynthesis of spiropyrans and spirooxazinesAmine photoredox reactions

Uses1,2,2,6,6-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.