≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 488188109 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188109 |
| Canonical Smiles | COC(=O)CCC(=O)C1=CC=CC=C1 |
| IUPAC Name | methyl 4-oxo-4-phenylbutanoate |
| InChIKey | XVRCVKWYKYJEIG-UHFFFAOYSA-N |
| INCHI | 1S/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| Isomeric SMILES | COC(=O)CCC(=O)C1=CC=CC=C1 |
| Molecular Weight | 192.21 |
| Beilstein | 10(1)331 |
| Reaxy-Rn | 2211627 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211627&ln= |
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 |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Butyrophenones Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Fatty acid methyl esters Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Fatty acid methyl ester - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Keto acid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2125258 | Certificate of Analysis | Oct 21, 2025 | M158344 |
| L2125259 | Certificate of Analysis | Oct 21, 2025 | M158344 |
| L2125264 | Certificate of Analysis | Oct 21, 2025 | M158344 |
| L2125422 | Certificate of Analysis | Oct 21, 2025 | M158344 |
| H2401438 | Certificate of Analysis | Jun 18, 2024 | M158344 |
| H2401439 | Certificate of Analysis | Jun 18, 2024 | M158344 |
| E2006132 | Certificate of Analysis | Feb 22, 2024 | M158344 |
| Solubility | Soluble in Chloroform. |
|---|---|
| Refractive Index | 1.52 |
| Boil Point(°C) | 172-174°/10mm |
| Molecular Weight | 192.210 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 192.079 Da |
| Monoisotopic Mass | 192.079 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| 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 |
