≥95% 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 | 488199502 |
|---|---|
| Sourires canoniques | CCOC(COC1=CC=C(C=C1)C#N)OCC |
| IUPAC Name | 4-(2,2-diethoxyethoxy)benzonitrile |
| InChIKey | YXGQLFFOVLQTJG-UHFFFAOYSA-N |
| INCHI | 1S/C13H17NO3/c1-3-15-13(16-4-2)10-17-12-7-5-11(9-14)6-8-12/h5-8,13H,3-4,10H2,1-2H3 |
| Isomères SMILES | CCOC(COC1=CC=C(C=C1)C#N)OCC |
| Poids moléculaire | 235.28 |
| Reaxy-Rn | 14325185 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14325185&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 |
| Classe | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Benzonitriles Alkyl aryl ethers Nitriles Acetals Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Acetal - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| 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 | Article |
|---|---|---|---|
 D2301269 | Certificate of Analysis | Jan 29, 2026 | D351463 |
| D2301252 | Certificate of Analysis | Jan 29, 2026 | D351463 |
| D2301251 | Certificate of Analysis | Jan 29, 2026 | D351463 |
| D2301246 | Certificate of Analysis | Jan 29, 2026 | D351463 |
| D2301237 | Certificate of Analysis | Jan 29, 2026 | D351463 |
| D2301218 | Certificate of Analysis | Jan 29, 2026 | D351463 |
| C2524079 | Certificate of Analysis | Feb 04, 2023 | D351463 |
| Indice de réfraction | n20D1.50 (Predicted) |
|---|---|
| Point d'ébullition (°C) | ~356.6° C at 760 mmHg (Predicted) |
| Point de fusion (°C) | 99.30° C (Predicted) |
| Poids moléculaire | 235.280 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 235.121 Da |
| Monoisotopic Mass | 235.121 Da |
| Topological Polar Surface Area | 51.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 234.000 |
| 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 |
