≥99%(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 | 504754135 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504754135 |
| Canonical Smiles | CCCCC(C(=O)OCC)C(=O)OCC |
| IUPAC Name | diethyl 2-butylpropanedioate |
| InChIKey | RPNFNBGRHCUORR-UHFFFAOYSA-N |
| INCHI | 1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3 |
| Isomeric SMILES | CCCCC(C(=O)OCC)C(=O)OCC |
| WGK Germany | 1 |
| Molecular Weight | 216.28 |
| Beilstein | 2(1)282 |
| Reaxy-Rn | 608785 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608785&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 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - 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 |
|---|---|---|---|
 C2613490 | Certificate of Analysis | Mar 03, 2026 | D154202 |
| E2210068 | Certificate of Analysis | Feb 04, 2026 | D154202 |
| E2210073 | Certificate of Analysis | Feb 04, 2026 | D154202 |
| J1918079 | Certificate of Analysis | Aug 03, 2023 | D154202 |
| F2326102 | Certificate of Analysis | Jul 04, 2023 | D154202 |
| K2208421 | Certificate of Analysis | Oct 27, 2022 | D154202 |
| K2208424 | Certificate of Analysis | Oct 27, 2022 | D154202 |
| K2208587 | Certificate of Analysis | Oct 27, 2022 | D154202 |
| E2210074 | Certificate of Analysis | Mar 07, 2022 | D154202 |
| Refractive Index | 1.423 |
|---|---|
| Flash Point(°F) | 199°F |
| Flash Point(°C) | 93℃ |
| Boil Point(°C) | 236-239℃ |
| Molecular Weight | 216.270 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 216.136 Da |
| Monoisotopic Mass | 216.136 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 183.000 |
| 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 |
