≥98% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504759331 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759331 |
| Canonical Smiles | CCOC1=CC=CC=C1C#N |
| IUPAC Name | 2-ethoxybenzonitrile |
| InChIKey | DXTLCLWOCYLDHL-UHFFFAOYSA-N |
| INCHI | 1S/C9H9NO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2H2,1H3 |
| Isomeric SMILES | CCOC1=CC=CC=C1C#N |
| WGK Germany | 2 |
| Molecular Weight | 147.17 |
| Reaxy-Rn | 2803453 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803453&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 | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Benzonitriles Alkyl aryl ethers Nitriles Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Monocyclic benzene moiety - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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 | Item |
|---|---|---|---|
 G2214142 | Certificate of Analysis | Apr 07, 2026 | E101409 |
| G2214143 | Certificate of Analysis | Apr 07, 2026 | E101409 |
| G2214145 | Certificate of Analysis | Apr 07, 2026 | E101409 |
| G2214226 | Certificate of Analysis | Apr 07, 2026 | E101409 |
| E1216013 | Certificate of Analysis | Feb 20, 2024 | E101409 |
| G2307588 | Certificate of Analysis | Jun 13, 2022 | E101409 |
| L2409144 | Certificate of Analysis | Jun 13, 2022 | E101409 |
| Refractive Index | 1.53 |
|---|---|
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 45 °C/0.5 mmHg |
| Melt Point(°C) | 5°C(lit.) |
| Molecular Weight | 147.170 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 147.068 Da |
| Monoisotopic Mass | 147.068 Da |
| Topological Polar Surface Area | 33.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 158.000 |
| 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 |
| 1. Shuxian Li, Yan Zhao, Fuqiang Hu, Yuechun Jiao, Jianming Zhao, Changyong Li. (2023) The stable conformations and vibronic and cation spectroscopy of 2-ethoxybenzonitrile. JOURNAL OF MOLECULAR STRUCTURE, [PMID:] [10.1016/j.molstruc.2023.136278] |
