1-(2,4,6-Trimethylpyridin-3-yl)ethan-1-one
Basic information
- CAS
56704-25-7- Standard SMILES
CC(=O)c1c(C)cc(C)nc1C- InChIKey
RKNKTACHKMTWTD-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 1-(2,4,6-Trimethylpyridin-3-yl)ethan-1-one
- IUPAC
- 1-(2,4,6-trimethyl-3-pyridinyl)ethanone
- English name
- 3-Acetyl-2,4,6-trimethylpyridine
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
1-(2,4,6-trimethylpyridin-3-yl)ethan-1-oneRefChem:420398676-608-03-Acetyl-2,4,6-trimethylpyridine56704-25-71-(2,4,6-trimethylpyridin-3-yl)ethanoneMFCD000857303-acetyl-collidineNSC108230SCHEMBL2381068CHEMBL4564269DTXSID50296193
Show more names
1-(2,4,6-trimethyl-3-pyridinyl)ethanoneEthanone, 1-(2,4,6-trimethyl-3-pyridinyl)-Ethanone, 1-(2,4,6-trimethyl-3-pyridinyl)- (9CI)
SBB065546AKOS009104412NSC-1082301-(2,4,6-trimethyl-3-pyridyl)ethanoneAS-64328EN300-26004Z220358230
Database identifiers
- CAS
56704-25-7- PubChem CID
- 268124
- DTXSID
DTXSID50296193- ChEMBL
CHEMBL4564269- EC Number
- 676-608-0
- Nikkaji
- J2.239.469J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- CAS DataBase Reference
- 56704 · 56704-25-7
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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 5 reports by companies from 2 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
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Related reactions
4 records
Compound notes
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