1,1'-(1,4-Dihydro-2,4,6-trimethylpyridine-3,5-diyl)bisethan-1-one
Basic information
- CAS
1081-09-0- Standard SMILES
CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1C- InChIKey
BFHJJFUZJSTSBY-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 1,1'-(1,4-Dihydro-2,4,6-trimethylpyridine-3,5-diyl)bisethan-1-one
- IUPAC
- 1-(5-acetyl-2,4,6-trimethyl-1,4-dihydropyridin-3-yl)ethanone
- English name
- 3 5-Diacetyl-2 4 6-trimethyl-1 4-dihydr&
- Molecular formula
- C12H17NO2
- Molecular weight
- 207.27
Names & synonyms
EINECS 214-099-5DTXSID301484041,1'-(1,4-Dihydro-2,4,6-trimethylpyridine-3,5-diyl)bisethan-1-oneNSC 45011RefChem:408988DTXCID2070895214-099-51081-09-03,5-Diacetyl-2,4,6-trimethyl-1,4-dihydropyridine1-(5-acetyl-2,4,6-trimethyl-1,4-dihydropyridin-3-yl)ethanone1,1'-(2,4,6-Trimethyl-1,4-dihydropyridine-3,5-diyl)diethanoneEthanone, 1,1'-(1,4-dihydro-2,4,6-trimethyl-3,5-pyridinediyl)bis-
Show more names
3,5-Diacetyl-1,4-dihydro-2,4,6-trimethylpyridine3 5-DIACETYL-2 4 6-TRIMETHYL-1 4-DIHYDR& ISO 9001：2015 REACH1-(5-acetyl-2,4,6-trimethyl-1,4-dihydro-3-pyridinyl)ethanone1-(5-ethanoyl-2,4,6-trimethyl-1,4-dihydropyridin-3-yl)ethanone
Pyridine, 3,5-diacetyl-1,4-dihydro-2,4,6-trimethyl-NSC450111-(5-acetyl-2,4,6-trimethyl-1,4-dihydropyridin-3-yl)ethan-1-oneMaybridge1_000082MixCom1_0001483 5-DIACETYL-2 4 6-TRIMETHYL-1 4-DIHYDR&SCHEMBL29171623NSC-45011
Database identifiers
- CAS
1081-09-0- PubChem CID
- 70654
- DTXSID
DTXSID30148404- EC Number
- 214-099-5
- Nikkaji
- J117.392H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 154 · 154-159 °C(lit.)
- Boiling point
- 344.6 · 344.6±42.0 °C(Predicted)
- Density
- 1.018 · 1.018±0.06 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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 39 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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