≥98%(GC) 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 | 488195499 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195499 |
| Canonical Smiles | CC(C)COC(=O)C=CC(=O)OCC(C)C |
| IUPAC Name | bis(2-methylpropyl) (E)-but-2-enedioate |
| InChIKey | RSRICHZMFPHXLE-AATRIKPKSA-N |
| INCHI | 1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5+ |
| Isomeric SMILES | CC(C)COC(=O)/C=C/C(=O)OCC(C)C |
| RTECS | LT1565000 |
| Molecular Weight | 228.29 |
| Beilstein | 2(4)2211 |
| Reaxy-Rn | 22224281 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22224281&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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Dicarboxylic acids and derivatives Enoate esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty 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 | Date | Item |
|---|---|---|---|
 F2213405 | Certificate of Analysis | Mar 18, 2026 | D154136 |
| F2214126 | Certificate of Analysis | Mar 18, 2026 | D154136 |
| E2227337 | Certificate of Analysis | Mar 11, 2026 | D154136 |
| E2227306 | Certificate of Analysis | Mar 11, 2026 | D154136 |
| E2227322 | Certificate of Analysis | Mar 11, 2026 | D154136 |
| E2025132 | Certificate of Analysis | Mar 18, 2024 | D154136 |
| D23061181 | Certificate of Analysis | Apr 15, 2023 | D154136 |
| F2213399 | Certificate of Analysis | Mar 17, 2022 | D154136 |
| E2227335 | Certificate of Analysis | Mar 17, 2022 | D154136 |
| Refractive Index | 1.44 |
|---|---|
| Boil Point(°C) | 122°C/5mmHg(lit.) |
| Melt Point(°C) | 8 °C |
| Molecular Weight | 228.280 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 228.136 Da |
| Monoisotopic Mass | 228.136 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 228.000 |
| 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 |
