Basic information
- CAS
5682-46-2- Standard SMILES
CCC(CC)C(=O)c1ccccc1- InChIKey
KLAMVBJBHNQYSB-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 2-Ethylbutyrophenone
- IUPAC
- 2-ethyl-1-phenylbutan-1-one
- English name
- 2-ethylbutyrophenone
- Molecular formula
- C12H16O
- Molecular weight
- 176.25484
Names & synonyms
2-Ethylbutyrophenone5682-46-21-Butanone, 2-ethyl-1-phenyl-EINECS 227-143-3DTXSID7063976RefChem:471917DTXCID9042120227-143-32-ethyl-1-phenylbutan-1-one2-ethyl-1-phenyl-butan-1-one2-ethyl-1-phenyl-1-butanoneMFCD08457153
Show more names
α-Ethylbutyrophenone
SCHEMBL1629814SCHEMBL8881262SCHEMBL11531382KLAMVBJBHNQYSB-UHFFFAOYSA-NAKOS009338707SY574572DB-279225NS00033586
Database identifiers
- CAS
5682-46-2- PubChem CID
- 79762
- DTXSID
DTXSID7063976- EC Number
- 227-143-3
- Nikkaji
- J225.090J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Ethylbutyrophenone (5682-46-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1-Butanone, 2-ethyl-1-phenyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanone, 2-ethyl-1-phenyl-: INACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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