Basic information
- CAS
6940-57-4- Standard SMILES
CC(=O)c1cccc(C)n1- InChIKey
FPQMUQPPAYCAME-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- 2-Acetyl-6-methylpyridine
- IUPAC
- 1-(6-methyl-2-pyridinyl)ethanone
- English name
- 1-(6-METHYL-PYRIDIN-2-YL)-ETHANONE
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
2-Acetyl-6-methylpyridine6940-57-41-(6-methylpyridin-2-yl)ethanoneKetone, methyl 6-methyl-2-pyridyl6-Acetyl-2-picoline1-(6-Methyl-2-pyridinyl)ethanone6-methyl-2-acetylpyridineAWB2JUD65KNSC-60153ETHANONE, 1-(6-METHYL-2-PYRIDINYL)-DTXSID90219528NSC 60153
Show more names
2-Acyl-6-methylpyridine6-Acetyl-2-methylpyridine2-ACETYL-6-METHYL PYIDINE2-methyl-6-acetylpyridine2-Acetyl-6-Methylpyridine,98%
Methyl 6-methyl-2-pyridyl ketone, 8CI1-(6-Methyl-2-pyridinyl)ethanone, 9CIRefChem:84986DTXCID40142019FPQMUQPPAYCAME-UHFFFAOYSA-N1-(6-Methylpyridin-2-yl)ethan-1-one1-(6-METHYL-PYRIDIN-2-YL)-ETHANONEMFCD06658293
Database identifiers
- CAS
6940-57-4- PubChem CID
- 138872
- DTXSID
DTXSID90219528- ChEBI
CHEBI:179151- UNII
- AWB2JUD65K
- EC Number
- 806-088-4
- Nikkaji
- J2.275.815B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Kovats Retention Index
1073
1107
1614；1603
Physicochemical properties
- Boiling point
- 209 ℃ · 209℃
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- Flash point
- 84 ° · 84°(183°F)
- refractive index
- 1.515 · 1.5150
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 3.24 · 3.24±0.10(Predicted)
- form
- Solid
- color
- Pale yellow
- InChI
- 1S/C8H9NO/c1-6-4-3-5-8(9-6)7(2)10/h3-5H,1-2H3
- InChIKey
- FPQMUQPPAYCAME-UHFFFAOYSA-N
- SMILES
- CC(=O)c1cccc(C)n1
- CAS DataBase Reference
- 6940 · 6940-57-4(CAS DataBase Reference)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory.；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
Hazard Classes and CategoriesAcute Tox. 4 (93.2%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933399990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm；Extracellular
Applications
Uses2-Acetyl-6-methylpyridine is a flavor constituent of rum. A useful synthetic and industrial reagent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.
Related reactions
14 records
Compound notes
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