≥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 | 488180511 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180511 |
| Canonical Smiles | CC(C)C(=O)OCC1=CC=CC=C1 |
| IUPAC Name | benzyl 2-methylpropanoate |
| InChIKey | UIKJRDSCEYGECG-UHFFFAOYSA-N |
| INCHI | 1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| Isomeric SMILES | CC(C)C(=O)OCC1=CC=CC=C1 |
| RTECS | NQ4550000 |
| UN Number | 3272 |
| Packing Group | III |
| Molecular Weight | 178.23 |
| Reaxy-Rn | 1869299 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869299&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 | Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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 |
|---|---|---|---|
 H2218153 | Certificate of Analysis | Jun 08, 2026 | B151839 |
| H2218154 | Certificate of Analysis | Jun 08, 2026 | B151839 |
| H2218155 | Certificate of Analysis | Jun 08, 2026 | B151839 |
| H2218156 | Certificate of Analysis | Jun 08, 2026 | B151839 |
| I2107048 | Certificate of Analysis | Jun 09, 2025 | B151839 |
| I2107049 | Certificate of Analysis | Jun 09, 2025 | B151839 |
| I2107050 | Certificate of Analysis | Jun 09, 2025 | B151839 |
| I1910046 | Certificate of Analysis | Jun 12, 2023 | B151839 |
| Refractive Index | 1.49 |
|---|---|
| Flash Point(°F) | 100°C |
| Flash Point(°C) | 100°C |
| Boil Point(°C) | 238 °C |
| Molecular Weight | 178.230 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 178.099 Da |
| Monoisotopic Mass | 178.099 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 157.000 |
| 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 |
