≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service 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.
El valerato de metilo es un compuesto aromatizante volátil que se encuentra en la acerola, la fresa y la piña.
| Pubchem Sid | 488181586 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181586 |
| Sonrisas canónicas | CCCCC(=O)OC |
| IUPAC Name | methyl pentanoate |
| InChIKey | HNBDRPTVWVGKBR-UHFFFAOYSA-N |
| INCHI | 1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3 |
| Isómeros SMILES | CCCCC(=O)OC |
| WGK Alemania | 2 |
| RTECS | YV7750500 |
| Número ONU | 3272 |
| Grupo de embalaje | II |
| Peso molecular | 116.16 |
| Beilstein | 1741905 |
| Reaxy-Rn | 1741905 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741905&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 methyl esters |
| Alternative Parents | Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid methyl 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 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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 I2216300 | Certificate of Analysis | Jun 15, 2026 | M108213 |
| E1823206 | Certificate of Analysis | Jan 07, 2026 | M108213 |
| J2524502 | Certificate of Analysis | Jul 08, 2024 | M108213 |
| J2524741 | Certificate of Analysis | Jul 08, 2024 | M108213 |
| I2004108 | Certificate of Analysis | Jun 15, 2024 | M108213 |
| B2510067 | Certificate of Analysis | Sep 06, 2022 | M108213 |
| C2314339 | Certificate of Analysis | Sep 06, 2022 | M108213 |
| D2318247 | Certificate of Analysis | Sep 06, 2022 | M108213 |
| D2318256 | Certificate of Analysis | Sep 06, 2022 | M108213 |
| D2318260 | Certificate of Analysis | Sep 06, 2022 | M108213 |
| D2416049 | Certificate of Analysis | Sep 06, 2022 | M108213 |
| I2216301 | Certificate of Analysis | Sep 06, 2022 | M108213 |
| I2216468 | Certificate of Analysis | Sep 06, 2022 | M108213 |
| Solubilidad | Solubility in water: Practically insoluble; Soluble in Ethanol |
|---|---|
| Índice de refracción | 1.4003 |
| Punto de inflamación (°F) | 71.6 °F |
| Punto de inflamación (°C) | 22℃ |
| Punto de ebullición (°C) | 127.3°C |
| Punto de fusión (°C) | -91.0°C |
| Peso molecular | 116.160 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 116.084 Da |
| Monoisotopic Mass | 116.084 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 68.900 |
| 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. Linchuan Cong, Yupeng Wu, Nan Lin, Xinxin Li, Fangbing Liu, Fuyu Han, Jin Yang, Ciduo Wang, Haibo Lin. (2023) Boosting decarboxylation of monomethyl adipate coupling to dimethyl sebacate through Pt electrode at high current density. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2023.148331] |
| 2. Liyang Liu, Haiying Lu, Chao Han, Xianfei Chen, Sucheng Liu, Jiakui Zhang, Xianghong Chen, Xinyi Wang, Rui Wang, Jiantie Xu, Hua Kun Liu, Shi Xue Dou, Weijie Li. (2023) Salt Anion Amphiphilicity-Activated Electrolyte Cosolvent Selection Strategy toward Durable Zn Metal Anode. ACS Nano, [PMID:37948160] [10.1021/acsnano.3c08716] |
| 3. Xiong Zheng, Dan Qu, Yanqiong Bao, Guangzhao Qin, Yu Liu, Qinlan Luo. (2021) Experimental Studies of Thermal Conductivity of Three Biodiesel Compounds: Methyl Pentanoate, Methyl Octanoate, and Methyl Decanoate. JOURNAL OF CHEMICAL AND ENGINEERING DATA, [PMID:] [10.1021/acs.jced.1c00702] |
| 4. Jing Fan, Qi Liu, Fenhong Song, Xiaopo Wang, Lihui Zhang. (2018) Experimental investigations on the liquid thermal conductivity of five saturated fatty acid methyl esters components of biodiesel. JOURNAL OF CHEMICAL THERMODYNAMICS, [PMID:] [10.1016/j.jct.2018.05.019] |
| 5. Linchuan Cong, Xinxin Li, Fuyu Han, Yupeng Wu, Kewen Ma, Ciduo Wang, Nan Lin, Haibo Lin. (2025) Electrode interfacial wettability engineering for high-efficiency synthesis of dimethyl sebacate via Kolbe electrolysis. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.171314] |
