Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
Basic Description
| Synonyms | AKOS000120675 | Ethyl .alpha.-(ethoxymethylene)-.alpha.-cyanoacetate | F0001-2258 | LS-13436 | EINECS 202-299-5 | 2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester, (2E)- | ethyl 2-cyano-3-ethoxy-2-propenoate | Ethyl (2E)-2-cyano-3-ethoxy-2-propenoate | Et |
|---|---|
| Specifications & Purity | ≥98%(GC) |
| Storage Temp | Store at 2-8°C,Argon charged |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Ethyl Cyano(ethoxymethylene)acetate is an intermediate in the synthesis of anti-inflammatory agents with gastroprotective effect in rats. |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
- Class Vinylogous esters
-
Superclass
Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Vinylogous esters |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Vinylogous esters |
| Alternative Parents | Enoate esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as vinylogous esters. These are organic compounds containing an ester group, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety. |
| External Descriptors | Not available |
|
|
|
Names and Identifiers
| Pubchem Sid | 504760623 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760623 |
| IUPAC Name | ethyl (E)-2-cyano-3-ethoxyprop-2-enoate |
| INCHI | InChI=1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6+ |
| InChIKey | KTMGNAIGXYODKQ-VOTSOKGWSA-N |
| Smiles | CCOC=C(C#N)C(=O)OCC |
| Isomeric SMILES | CCO/C=C(\C#N)/C(=O)OCC |
| WGK Germany | 1 |
| Molecular Weight | 169.18 |
| Beilstein | 878814 |
| Reaxy-Rn | 878814 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878814&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2130124 |
Certificate of Analysis | May 07, 2025 | C141341 |
| D1713001 |
Certificate of Analysis | Dec 05, 2024 | C141341 |
| D2410226 |
Certificate of Analysis | Mar 21, 2024 | C141341 |
| K2212166 |
Certificate of Analysis | Aug 08, 2022 | C141341 |
| K2212163 |
Certificate of Analysis | Aug 08, 2022 | C141341 |
| K2212167 |
Certificate of Analysis | Aug 08, 2022 | C141341 |
Chemical and Physical Properties
| Solubility | Solubility in Methanol almost transparency; |
|---|---|
| Sensitivity | Moisture sensitive |
| Flash Point(°F) | 266°F |
| Flash Point(°C) | 130℃ |
| Boil Point(°C) | 190-191°C/30 mmHg |
| Melt Point(°C) | 47.0 - 53.0℃ |
| Molecular Weight | 169.180 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 169.074 Da |
| Monoisotopic Mass | 169.074 Da |
| Topological Polar Surface Area | 59.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 224.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
Documents & Articles
tert-Butyl hydroperoxide, TBHP
Categories: Technical articles
Solution Calculators
Reviews
Customer Reviews
Remind me later