≥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.
| Pubchem Sid | 504759046 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759046 |
| Sonrisas canónicas | CCCC(C)C(=O)OC |
| IUPAC Name | methyl 2-methylpentanoate |
| InChIKey | ZTULNMNIVVMLIU-UHFFFAOYSA-N |
| INCHI | 1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3 |
| Isómeros SMILES | CCCC(C)C(=O)OC |
| Número ONU | 3272 |
| Grupo de embalaje | III |
| Peso molecular | 130.18 |
| Reaxy-Rn | 1721233 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721233&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 |
| Clase | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Descripción | 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 | Fecha | Articulo |
|---|---|---|---|
 K2205155 | Certificate of Analysis | Aug 11, 2025 | B300583 |
| K2205156 | Certificate of Analysis | Aug 11, 2025 | B300583 |
| K2205157 | Certificate of Analysis | Aug 11, 2025 | B300583 |
| G2110164 | Certificate of Analysis | Apr 15, 2024 | B300583 |
| G2110416 | Certificate of Analysis | Apr 15, 2024 | B300583 |
| F23021172 | Certificate of Analysis | Jun 17, 2021 | B300583 |
| Punto de inflamación (°C) | 35°C |
|---|---|
| Punto de ebullición (°C) | 85°/18mmHg |
| Peso molecular | 130.180 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 130.099 Da |
| Monoisotopic Mass | 130.099 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 88.900 |
| 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 |
| 1. Yan Zhao, Chen-Yang Shao, Han Yan, Yue Zhang, Qun-Hua Peng, Zhi Lin, Xiao-Ting Zhai, Hai-Peng Lv, Yin Zhu. (2026) Unraveling the aromatic essence of baked green tea using sensomics: insights from three representative cultivars. FOOD CHEMISTRY, [PMID:41544474] [10.1016/j.foodchem.2026.147878] |
