| Pubchem Sid | 488182862 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182862 |
| Canonical Smiles | CCOC(=O)CC(C(=O)OCC)O |
| IUPAC Name | diethyl 2-hydroxybutanedioate |
| InChIKey | VKNUORWMCINMRB-UHFFFAOYSA-N |
| INCHI | 1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3 |
| Isomeric SMILES | CCOC(=O)CC(C(=O)OCC)O |
| Molecular Weight | 190.2 |
| Reaxy-Rn | 1725473 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725473&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 | Hydroxy acids and derivatives |
| Subclass | Beta hydroxy acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Beta hydroxy acids and derivatives |
| Alternative Parents | Fatty acid esters Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Beta-hydroxy acid - Fatty acyl - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. |
| External Descriptors | malate ester |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I1805073 | Certificate of Analysis | Apr 15, 2026 | D155732 |
| E2515328 | Certificate of Analysis | Apr 14, 2025 | D155732 |
| E2515329 | Certificate of Analysis | Apr 14, 2025 | D155732 |
| E2515343 | Certificate of Analysis | Apr 14, 2025 | D155732 |
| E2515353 | Certificate of Analysis | Apr 14, 2025 | D155732 |
| B2101037 | Certificate of Analysis | Dec 05, 2024 | D155732 |
| L2416148 | Certificate of Analysis | Jul 04, 2024 | D155732 |
| L2416146 | Certificate of Analysis | Jul 04, 2024 | D155732 |
| L2416145 | Certificate of Analysis | Jul 04, 2024 | D155732 |
| F2313783 | Certificate of Analysis | May 30, 2023 | D155732 |
| F2313796 | Certificate of Analysis | May 30, 2023 | D155732 |
| F2313909 | Certificate of Analysis | May 30, 2023 | D155732 |
| F2313935 | Certificate of Analysis | May 30, 2023 | D155732 |
| F2313779 | Certificate of Analysis | May 30, 2023 | D155732 |
| F2313776 | Certificate of Analysis | May 30, 2023 | D155732 |
| F2313764 | Certificate of Analysis | May 30, 2023 | D155732 |
| F2313759 | Certificate of Analysis | May 30, 2023 | D155732 |
| Refractive Index | 1.43 |
|---|---|
| Flash Point(°C) | 85 °C |
| Boil Point(°C) | 255 °C |
| Molecular Weight | 190.190 g/mol |
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 190.084 Da |
| Monoisotopic Mass | 190.084 Da |
| Topological Polar Surface Area | 72.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 177.000 |
| 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 |
