Ethanone, 1-(2,5-diethylphenyl)-
Basic information
- CAS
2797-80-0- Standard SMILES
CCc1ccc(CC)c(C(C)=O)c1- InChIKey
XCNCPXSQWCEGBQ-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- Ethanone, 1-(2,5-diethylphenyl)-
- IUPAC
- 1-(2,5-diethylphenyl)ethanone
- English name
- 2-5-diethylacetophenone
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
Ethanone, 1-(2,5-diethylphenyl)-2,5-Diethylacetophenone2797-80-0DTXSID4062646RefChem:592441DTXCID30377551-(2,5-diethylphenyl)ethanone1-(2,5-diethylphenyl)ethan-1-oneSCHEMBL8160238XCNCPXSQWCEGBQ-UHFFFAOYSA-NAKOS0002998002-5-diethylacetophenone
Database identifiers
- CAS
2797-80-0- PubChem CID
- 76043
- DTXSID
DTXSID4062646- Nikkaji
- J421.637G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 110 °C · 110 °C(Press: 6 Torr)
- Density
- 0.9669 g/cm3 · 0.9669 g/cm3
- EPA Substance Registry System
- 1 · Ethanone, 1-(2,5-diethylphenyl)- (2797-80-0)
- 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: Ethanone, 1-(2,5-diethylphenyl)-
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 InformationEthanone, 1-(2,5-diethylphenyl)-: INACTIVE
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Compound notes
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