≥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 | 504758385 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758385 |
| Sonrisas canónicas | COC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2 |
| IUPAC Name | methyl 4-phenylmethoxybenzoate |
| InChIKey | ZLLQTDQOTFCCDF-UHFFFAOYSA-N |
| INCHI | 1S/C15H14O3/c1-17-15(16)13-7-9-14(10-8-13)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| Isómeros SMILES | COC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2 |
| Peso molecular | 242.27 |
| Reaxy-Rn | 2119212 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2119212&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 G2008106 | Certificate of Analysis | May 07, 2024 | M157805 |
| G2008105 | Certificate of Analysis | May 07, 2024 | M157805 |
| K2205314 | Certificate of Analysis | Oct 24, 2022 | M157805 |
| K2205315 | Certificate of Analysis | Oct 24, 2022 | M157805 |
| Solubilidad | Soluble in Acetone |
|---|---|
| Punto de fusión (°C) | 99 °C |
| Peso molecular | 242.270 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 242.094 Da |
| Monoisotopic Mass | 242.094 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 250.000 |
| 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 |
