≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1(COC(OC1)CCCC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)C |
|---|---|
| IUPAC Name | 4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-[2-[4-(trifluoromethyl)phenyl]phenyl]butan-1-one |
| InChIKey | SRNNWXJBZLWIMI-UHFFFAOYSA-N |
| INCHI | 1S/C23H25F3O3/c1-22(2)14-28-21(29-15-22)9-5-8-20(27)19-7-4-3-6-18(19)16-10-12-17(13-11-16)23(24,25)26/h3-4,6-7,10-13,21H,5,8-9,14-15H2,1-2H3 |
| Isómeros SMILES | CC1(COC(OC1)CCCC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)C |
| CAS alternativo | 898757-59-0 |
| PubChem CID | 24727986 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Biphenyls and derivatives Butyrophenones Trifluoromethylbenzenes Benzoyl derivatives Aryl alkyl ketones 1,3-dioxanes Oxacyclic compounds Acetals Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Aldehydes |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Biphenyl - Butyrophenone - Trifluoromethylbenzene - Aryl alkyl ketone - Benzoyl - Meta-dioxane - Benzenoid - Monocyclic benzene moiety - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxide - Organohalogen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Aldehyde - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 406.400 g/mol |
|---|---|
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 406.176 Da |
| Monoisotopic Mass | 406.176 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 528.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![4-(5,5-Dimethyl-1,3-dioxan-2-yl)-2'-[(4-trifluoromethyl)phenyl]butyrophenone - ≥95% , CAS No.898757-59-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)