≥95% 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.
application：
Diethyl 1-Methylbutylmalonate is used in the in vitro reaction of barbiturates with formaldehyde to evaluate forensic toxicology on the cause of death.
| Pubchem Sid | 488186913 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186913 |
| Canonical Smiles | CCCC(C)C(C(=O)OCC)C(=O)OCC |
| IUPAC Name | diethyl 2-pentan-2-ylpropanedioate |
| InChIKey | RQFSNEWORATSCC-UHFFFAOYSA-N |
| INCHI | 1S/C12H22O4/c1-5-8-9(4)10(11(13)15-6-2)12(14)16-7-3/h9-10H,5-8H2,1-4H3 |
| Isomeric SMILES | CCCC(C)C(C(=O)OCC)C(=O)OCC |
| Molecular Weight | 230.3 |
| Reaxy-Rn | 1726148 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1726148&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 |
|---|---|---|---|
 H2329249 | Certificate of Analysis | Jun 09, 2026 | D352186 |
| H2329250 | Certificate of Analysis | Jun 09, 2026 | D352186 |
| H2329251 | Certificate of Analysis | Jun 09, 2026 | D352186 |
| H2329252 | Certificate of Analysis | Jun 09, 2026 | D352186 |
| H2329253 | Certificate of Analysis | Jun 09, 2026 | D352186 |
| H2329288 | Certificate of Analysis | Jun 09, 2026 | D352186 |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
|---|---|
| Refractive Index | 1.4270 |
| Boil Point(°C) | 118-119°/9mmHg |
| Molecular Weight | 230.300 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 230.152 Da |
| Monoisotopic Mass | 230.152 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 207.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
