4-Piperidinone, 2,2,6,6-tetramethyl-, monohydrate

HCID 22397602

Notes Reactions

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Basic information

CAS: 10581-38-1
Standard SMILES: CC1(C)CC(=O)CC(C)(C)N1.O
InChIKey: SFDODBGIDPNFEH-UHFFFAOYSA-N
Molecular formula: C9H19NO2
Average molar mass: 173.25 g/mol
Monoisotopic mass: 173.14157885

Names & identifiers

Preferred name: 4-Piperidinone, 2,2,6,6-tetramethyl-, monohydrate
IUPAC: 2,2,6,6-tetramethylpiperidin-4-one;hydrate
English name: 2,2,6,6-Tetramethyl-4-piperidone monohydrate
Molecular formula: C9H19NO2
Molecular weight: 173.25

Names & synonyms

4-Piperidinone, 2,2,6,6-tetramethyl-, monohydrateRefChem:52654210581-38-12,2,6,6-Tetramethyl-4-piperidone hydrate2,2,6,6-Tetramethyl-4-piperidone monohydrateTriacetonamine monohydrate2,2,6,6-tetramethylpiperidin-4-one;hydrateMFCD00149393Triacetonamine (monohydrate)2266-Tetramethyl-4-piperidone Hydrate2,2,6,6-Tetramethyl-4-piperidoneHydrateSCHEMBL4837114

Show more names

TRIACETONEAMINE HYDRATE2,2,6,6-Tetramethyl-4-Piperidone/Tripyruvalamine

SCHEMBL29829697HY-N1131BDTXSID90625463AKOS015904603SB41082AS-10674SY027505DB-103864

Database identifiers

CAS: 10581-38-1
PubChem CID: 22397602
DTXSID: DTXSID90625463
EC Number: 678-808-3

Properties

Computed structural properties

Topological polar surface area: 30.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 164

Physicochemical properties

Melting point: 59 °C · 59 °C
storage temp.: 2 · Inert atmosphere,2-8°C
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: Yes

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 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.

Hazard information

Regulatory Information4-Piperidinone, 2,2,6,6-tetramethyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Regulatory information

Regulatory Information4-Piperidinone, 2,2,6,6-tetramethyl-, monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Safety data

tsca: Yes
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS06
safety_code: 26-36/37/39
Hazard statements: H301-H315-H319-H335
Precautionary statements: P261-P280a-P301+P310a-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

UsesTriacetonamine (2,2,6,6-Tetramethyl-4-piperidone) monohydrate is used as an intermediate for the synthesis of pharmaceutical products, pesticides and photostabilizers for polymers. Triacetonamine hydrochloride has oral activity and can induce acute liver failure (ALF) in rats[1][2].