≥95%, contains Stabilizer MEHQ 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504752766 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752766 |
| Canonical Smiles | CCCOC(=O)C(=C)C |
| IUPAC Name | propyl 2-methylprop-2-enoate |
| InChIKey | NHARPDSAXCBDDR-UHFFFAOYSA-N |
| INCHI | 1S/C7H12O2/c1-4-5-9-7(8)6(2)3/h2,4-5H2,1,3H3 |
| Isomeric SMILES | CCCOC(=O)C(=C)C |
| WGK Germany | 3 |
| RTECS | OZ5250000 |
| UN Number | 1993 |
| Packing Group | I |
| Molecular Weight | 128.17 |
| Beilstein | 1744849 |
| Reaxy-Rn | 1744849 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744849&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters |
| Direct Parent | Enoate esters |
| Alternative Parents | Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Enoate ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position. |
| 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 |
|---|---|---|---|
 E2626054 | Certificate of Analysis | Sep 08, 2023 | N338922 |
| J2318539 | Certificate of Analysis | Sep 08, 2023 | N338922 |
| J2318540 | Certificate of Analysis | Sep 08, 2023 | N338922 |
| J2318541 | Certificate of Analysis | Sep 08, 2023 | N338922 |
| J2318542 | Certificate of Analysis | Sep 08, 2023 | N338922 |
| Solubility | Soluble in ethyl ether, and ethyl alcohol. Insoluble in water. |
|---|---|
| Refractive Index | n20D1.42 |
| Boil Point(°C) | 140-141° C |
| Melt Point(°C) | -54.73° C (Predicted) |
| Molecular Weight | 128.169 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 128.084 Da |
| Monoisotopic Mass | 128.084 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 116.000 |
| 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. Run Zheng, Baolong Wang, Kai Shi, Yanxiong Pan, Xiangling Ji. (2023) Preparation of Hydrophobic Functionalized Poly(vinyl alcohol) Formaldehyde-Based Composite Sponges for Highly Effective Water-in-Oil Emulsion Separation. ACS Applied Polymer Materials, [PMID:] [10.1021/acsapm.3c02395] |
