≥95%(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 | 488188137 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188137 |
| Canonical Smiles | CC(=O)CC(=O)OCC1=CC=CC=C1 |
| IUPAC Name | benzyl 3-oxobutanoate |
| InChIKey | WOFAGNLBCJWEOE-UHFFFAOYSA-N |
| INCHI | 1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| Isomeric SMILES | CC(=O)CC(=O)OCC1=CC=CC=C1 |
| WGK Germany | 1 |
| Molecular Weight | 192.21 |
| Beilstein | 2049620 |
| Reaxy-Rn | 2049615 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049615&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Fatty acid esters Beta-keto acids and derivatives 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Beta-keto acid - Fatty acid ester - Fatty acyl - 1,3-dicarbonyl compound - Keto acid - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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 |
|---|---|---|---|
 H2231260 | Certificate of Analysis | Jun 09, 2026 | B151842 |
| H2231309 | Certificate of Analysis | Jun 09, 2026 | B151842 |
| J2524149 | Certificate of Analysis | Nov 07, 2025 | B151842 |
| G2329142 | Certificate of Analysis | Mar 13, 2023 | B151842 |
| G2329156 | Certificate of Analysis | Mar 13, 2023 | B151842 |
| G2329157 | Certificate of Analysis | Mar 13, 2023 | B151842 |
| G2329158 | Certificate of Analysis | Mar 13, 2023 | B151842 |
| G2329167 | Certificate of Analysis | Mar 13, 2023 | B151842 |
| C1926047 | Certificate of Analysis | Jan 19, 2023 | B151842 |
| Refractive Index | 1.5080-1.5130 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 163 °C/15.8 mmHg |
| Molecular Weight | 192.210 g/mol |
| XLogP3 | 1.800 |
| 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 |
