≥97%, stabilized with HQ 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCOC(=O)CC(=C)C(=O)OCCCC |
|---|---|
| IUPAC Name | dibutyl 2-methylidenebutanedioate |
| InChIKey | OGVXYCDTRMDYOG-UHFFFAOYSA-N |
| INCHI | 1S/C13H22O4/c1-4-6-8-16-12(14)10-11(3)13(15)17-9-7-5-2/h3-10H2,1-2H3 |
| Isomeric SMILES | CCCCOC(=O)CC(=C)C(=O)OCCCC |
| Molecular Weight | 242.32 |
| Reaxy-Rn | 1789589 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1789589&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 |
|---|---|---|---|
 A1809046 | Certificate of Analysis | Aug 18, 2025 | D155875 |
| I2217281 | Certificate of Analysis | Aug 08, 2022 | D155875 |
| I2217282 | Certificate of Analysis | Aug 08, 2022 | D155875 |
| I2217283 | Certificate of Analysis | Aug 08, 2022 | D155875 |
| I2219073 | Certificate of Analysis | Aug 08, 2022 | D155875 |
| Refractive Index | 1.44 |
|---|---|
| Flash Point(°F) | 138°C(lit.) |
| Flash Point(°C) | 138°C(lit.) |
| Boil Point(°C) | 190 °C/60 mmHg |
| Molecular Weight | 242.310 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 242.152 Da |
| Monoisotopic Mass | 242.152 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 258.000 |
| 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. Chang Li, Benzhi Ju, Shufen Zhang. (2022) Twin-screw extrusion molding of a cellulose-based vitrimer containing a crosslinkable macromolecular plasticizer. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:36442549] [10.1016/j.ijbiomac.2022.11.205] |
| 2. Chang Li, Shufen Zhang, Benzhi Ju. (2022) Preparation of a starch-based vitrimer comprising a crosslinkable macromolecular plasticizer by extrusion. INDUSTRIAL CROPS AND PRODUCTS, [PMID:] [10.1016/j.indcrop.2022.115941] |
| 3. Yongchao Li, Ying Qiu, Lan Wei, Yu Song, Wanyuan Guo, Lingxiao Yu, Guangxu Gao, Jialu Gao, Jiangting Huang, Yuanxia Wang, Ying Shi, Li-Zhi LIU, Qi Zhang, Lixin Song. (2025) Enhancing the compatibility and performance of poly (lactic acid) and thermoplastic polyolefin elastomer blends through a dual compatibilization strategy. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:39892536] [10.1016/j.ijbiomac.2025.140513] |
| 4. Yi Wang, Fengyuan Zhang, Falin Li, Shuai Du, Shanshan Dai, Tao Jiang, Kangjun Sun, Bo Chen, Songqi Ma. (2025) Covalent adaptable networks derived from itaconic acid-based epoxy and sulfur: Facile synthesis and applications in adhesives and carbon fiber composites. COMPOSITES COMMUNICATIONS, [PMID:] [10.1016/j.coco.2025.102575] |
| 5. Junrui Duan, Yuesheng Zhang, Zhiguo Hu, Hongtao Lu, Jianna Bao. (2025) Simultaneous Enhancement of Ductility and Impact Toughness in Biodegradable PLA/PCL Blends via a Plasticizer Strategy. POLYMER ENGINEERING AND SCIENCE, [PMID:] [10.1002/pen.70345] |
