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CAS No.: | 826-36-8 |
---|---|
Name: | Triacetonamine |
Article Data: | 71 |
Molecular Structure: | |
Formula: | C9H17NO |
Molecular Weight: | 155.24 |
Synonyms: | 4-Piperidone,2,2,6,6-tetramethyl- (6CI,7CI,8CI);2,2,6,6-Tetramethyl-4-oxopiperidine;2,2,6,6-Tetramethyl-4-piperidinone;2,2,6,6-Tetramethyl-4-piperidone;4-Oxo-2,2,6,6-tetramethylpiperidine;IKh 196;NSC 16579;Odoratine;Triacetonamin;Vincubina;Vincubine; |
EINECS: | 212-554-2 |
Density: | 0.882 g/cm8 |
Melting Point: | 58-62 °C |
Boiling Point: | 205.6 °C at 760 mmHg |
Flash Point: | 73.2 °C |
Solubility: | 249g/L at 20℃ |
Appearance: | white crystalline powder |
Hazard Symbols: | C, Xn |
Risk Codes: | 34-22-36/37/38 |
Safety: | 45-36/37/39-26-22-36/37 |
PSA: | 29.10000 |
LogP: | 1.82490 |
Conditions | Yield |
---|---|
With ammonium hydroxide at -80 - 85℃; | 98% |
With ammonia; water | |
With ammonia | |
With ammonium hydroxide; sodium hydroxide 1.) 25 deg C, 3 days, 80 deg C, 60 min; 2.) 0-5 deg C; Yield given. Multistep reaction; | |
With ammonium hydroxide In water at 55 - 85℃; |
Conditions | Yield |
---|---|
With C44H66O8P4Pd2; methyl vinyl ketone In water; toluene at 105℃; for 16h; Inert atmosphere; chemoselective reaction; | 88% |
With 13,17-bis(2-methoxycarbonylethyl)-2,7,12,18-tetramethylporphinatocobalt(II); oxygen; isovaleraldehyde In acetonitrile at 60℃; for 1h; | 8 %Chromat. |
Conditions | Yield |
---|---|
With ammonia at 80℃; for 12h; Temperature; Autoclave; | 83.6% |
With ammonium chloride In water for 72h; | 33% |
With ammonia |
Conditions | Yield |
---|---|
With water In acetone Heating; UV irradiation; | 82% |
2,2,4,4,6-pentamethyl-2,3,4,5,tetrahydropyrimidine
cyclohexanone
A
2,2,6,6-Tetramethyl-4-piperidone
B
7-azadispiro[5.1.58.36]hexadecan-15-one
C
2,2-dimethyl-1-azaspiro[5.5]undecan-4-one
Conditions | Yield |
---|---|
With ammonium chloride at 60℃; for 10h; | A 16% B 30% C 52% |
With ammonium chloride at 60℃; for 10h; Product distribution; Mechanism; other ketones; | A 3% B 36% C 24% |
With ammonium chloride at 60℃; for 10h; | A 3% B 36% C 24% |
2,2,4,4,6-pentamethyl-2,3,4,5,tetrahydropyrimidine
octahydro-4,7-methano-inden-5-one
A
2,2,6,6-Tetramethyl-4-piperidone
Conditions | Yield |
---|---|
With ammonium chloride at 60℃; for 10h; | A n/a B 45% |
2,2,4,4,6-pentamethyl-2,3,4,5,tetrahydropyrimidine
Norbornan-2-on
A
2,2,6,6-Tetramethyl-4-piperidone
Conditions | Yield |
---|---|
With ammonium chloride at 60℃; for 10h; | A n/a B 42% |
4-oxo-2,2,6,6-tetramethylpiperidin-oxyl
A
2,2,6,6-Tetramethyl-4-piperidone
B
1-Ethanesulfonyl-2,2,6,6-tetramethyl-piperidin-4-one
Conditions | Yield |
---|---|
With ethanethiol In benzene Yields of byproduct given; | A 16% B n/a |
Conditions | Yield |
---|---|
With ethylenediamine In neat (no solvent) at 20℃; for 48h; Reagent/catalyst; | A 2% B n/a C n/a |
2,6-diamino-2,6-dimethyl-heptan-4-one
2,2,6,6-Tetramethyl-4-piperidone
Conditions | Yield |
---|---|
With water |
Product Name: Triacetonamine (CAS NO.826-36-8)
Molecular Formula: C9H17NO
Molar mass: 155.23738 g/mol
Density: 0.882 g/cm3
Flash Point: 73.2 °C
Boiling Point: 205.6 °C at 760 mmHg
Index of Refraction: 1.427
Stability: Stable under normal temperatures and pressures
Vapour Pressure: 0.248 mmHg at 25°C
Melting point: 58-62°C
Appearance: White or light yellow powder
Solubility: soluble in acetone, alcohol, ether and water
Storage temp: Refrigerator (+4°C)
Surface Tension: 23.4 dyne/cm
Enthalpy of Vaporization: 44.18 kJ/mol
Index of Refraction: 1.427
Molar Refractivity: 45.18 cm3
Molar Volume: 175.8 cm3
XLogP3-AA: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Triacetonamine (CAS NO.826-36-8):
IUPAC Name: 2,2,6,6-tetramethylpiperidin-4-one
Canonical SMILES: CC1(CC(=O)CC(N1)(C)C)C
InChI: InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
InChIKey: JWUXJYZVKZKLTJ-UHFFFAOYSA-N
Product Categories: Industrial/Fine Chemicals; Nitrogen cyclic compounds; API intermediates
Triacetonamine (CAS NO.826-36-8) can be used as the intermediates of hindered amine light stabilizer and pharmaceutical.
1. | orl-rat LD50:1539 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 28 (5)(1984),53. | ||
2. | ipr-rat LD50:385 mg/kg | APPHAX Acta Poloniae Pharmaceutica. 24 (1967),652. |
Reported in EPA TSCA Inventory.
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx.
Safety Information of Triacetonamine (CAS NO.826-36-8):
Hazard Codes:C,Xn
Risk Statements:
22: Harmful if swallowed
34: Causes burns
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
22: Do not breathe dust
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Triacetonamine , its CAS NO. is 826-36-8, the synonyms are Tetramethylpiperidinone ; 2,2,6,6-Tetramethyl-4-piperidone ; IKh 196 ; NSC 16579 ; Odoratine ; TEMP ; Vincubina ; Vincubine .