≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
Product Application:
Methyl 4-ethoxybenzoate is used in the preparation of 4- ethoxybenzoic acid by reacting with aluminum tribromide. It is involved in the preparation of apricoxib, which is a selective cyclooxygenase inhibitor.
| パブケム・シド | 488186602 |
|---|---|
| カノニカル・スマイル | CCOC1=CC=C(C=C1)C(=O)OC |
| IUPAC Name | methyl 4-ethoxybenzoate |
| InChIKey | RNHXTCZZACTEMK-UHFFFAOYSA-N |
| INCHI | 1S/C10H12O3/c1-3-13-9-6-4-8(5-7-9)10(11)12-2/h4-7H,3H2,1-2H3 |
| 異性体SMILES | CCOC1=CC=C(C=C1)C(=O)OC |
| 分子量 | 180.21 |
| Beilstein | 2691838 |
| Reaxy-Rn | 2691838 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691838&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 |
| 分類 | 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 |
| 説明 | 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 | 日付 | 商品 |
|---|---|---|---|
 D2308635 | Certificate of Analysis | Feb 18, 2023 | M137124 |
| D2308638 | Certificate of Analysis | Feb 18, 2023 | M137124 |
| D2308639 | Certificate of Analysis | Feb 18, 2023 | M137124 |
| D2308640 | Certificate of Analysis | Feb 18, 2023 | M137124 |
| D2308642 | Certificate of Analysis | Feb 18, 2023 | M137124 |
| D2308643 | Certificate of Analysis | Feb 18, 2023 | M137124 |
| 溶解度 | Soluble in Methanol |
|---|---|
| 引火点（°F） | 230°F |
| 引火点（°C） | >110°C |
| 沸点（°C） | 260 °C |
| 融点（°C） | 38 °C |
| 分子量 | 180.200 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 180.079 Da |
| Monoisotopic Mass | 180.079 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| 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 |
