≥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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC(=O)CCCC(=O)O |
|---|---|
| IUPAC Name | 5-methoxy-5-oxopentanoic acid |
| InChIKey | IBMRTYCHDPMBFN-UHFFFAOYSA-N |
| INCHI | 1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8) |
| Isomeric SMILES | COC(=O)CCCC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 146.14 |
| Beilstein | 1762381 |
| Reaxy-Rn | 1762381 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1762381&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 methyl esters |
| Alternative Parents | Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid - 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 methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. |
| External Descriptors | dicarboxylic acid monoester |
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| Refractive Index | 1.438 |
|---|---|
| Flash Point(°F) | 230 °F |
| Flash Point(°C) | 110 °C |
| Boil Point(°C) | 150-151°C/10mmHg |
| Molecular Weight | 146.140 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 146.058 Da |
| Monoisotopic Mass | 146.058 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 130.000 |
| 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. Liru Cui, Huiming Lin, Chunyu Yang, Xiao Han, Ting Zhang, Fengyu Qu. (2014) Synthesis of Multifunctional Fe3O4@mSiO2@Au Core–Shell Nanocomposites for pH-Responsive Drug Delivery. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2014 (36): (6156-6164). [PMID:] [10.1002/ejic.201402671] |
G2502475