Basic information
- CAS
5554-54-1- Standard SMILES
CN1C(C)(C)CC(=O)CC1(C)C- InChIKey
GHJUORCGZFHNKG-UHFFFAOYSA-N- Molecular formula
- C10H19NO
- Average molar mass
- 169.26 g/mol
- Monoisotopic mass
- 169.14666423
Names & identifiers
- Preferred name
- 1,2,2,6,6-Pentamethyl-4-piperidone
- IUPAC
- 1,2,2,6,6-pentamethylpiperidin-4-one
- English name
- 1 2 2 6 6-Pentamethyl-4-piperidone 97
- Molecular formula
- C10H19NO
- Molecular weight
- 169.26
Names & synonyms
1,2,2,6,6-Pentamethyl-4-piperidoneRefChem:410405628-282-61,2,2,6,6-pentamethylpiperidin-4-one5554-54-1MFCD002346841,2,2,6,6-pentamethyl-4-piperidinoneSCHEMBL578932DTXSID602872591 2 2 6 6-PENTAMETHYL-4-PIPERIDONE 97GEO-02088AKOS005255299
Show more names
4-Piperidinone, 1,2,2,6,6-pentamethyl-1,2,2,6,6-Pentamethyl-4-piperidone 97%1 2 2 6 6-Pentamethyl-4-piperidone 971-Methyl-2,2,6,6-tetramethyl-4-oxopiperidine
SB41142AS-55185SCHEMBL11622909SY284BBL102813STL556621FP07002SY284212
Database identifiers
- CAS
5554-54-1- PubChem CID
- 241955
- DTXSID
DTXSID60287259- EC Number
- 628-282-6
- Nikkaji
- J2.818.308I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 230 · 230-231 °C (lit.)
- Density
- 0.949 g/mL · 0.949 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.476(lit.)
- Flash point
- 195 °F · 195 °F
- storage temp.
- -20 °C · -20°C
- Appearance
- Light yellow to yellow Liquid
- InChI
- 1S/C10H19NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h6-7H2,1-5H3
- InChIKey
- GHJUORCGZFHNKG-UHFFFAOYSA-N
- SMILES
- CN1C(C)(C)CC(=O)CC1(C)C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1,2,2,6,6-Pentamethyl-4-piperidone may be used in the preparation of 1-phenyl-2,2,6,6-tetramethyl-4-phenyliminopiperidine and 1-benzyl-2,2,6,6-tetramethyl-4-benzyliminopiperidine.
General Description1,2,2,6,6-Pentamethyl-4-piperidone is an intermediate for preparing pentamethylpiperidines of pharmacological importance. Its conformational analysis based on proton magnetic resonance spectra, dipole moments and molar Kerr constant have been reported.
Upstream & downstream products
Upstream raw materials
Suppliers43 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
VladaChem GmbH
Related reactions
9 records
Compound notes
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