Determine the necessary mass, volume, or concentration for preparing a solution.
analytical standard, for environmental analysis, ≥99.5%(GC) Analytical standard,for Environmental analysis 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 20 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CCCC(=O)OC |
|---|---|
| IUPAC Name | methyl butanoate |
| InChIKey | UUIQMZJEGPQKFD-UHFFFAOYSA-N |
| INCHI | 1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3 |
| Isómeros SMILES | CCCC(=O)OC |
| WGK Alemania | 2 |
| RTECS | ET5500000 |
| Número ONU | 1237 |
| Grupo de embalaje | II |
| Peso molecular | 102.13 |
| Beilstein | 1740743 |
| Reaxy-Rn | 1740743 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740743&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 | Wax monoesters |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | May 27, 2026 | M100040 | |
| Certificate of Analysis | May 26, 2026 | M100040 | |
| Certificate of Analysis | May 20, 2026 | M100040 | |
| Certificate of Analysis | Oct 28, 2024 | M100040 | |
| Certificate of Analysis | Oct 28, 2024 | M100040 | |
| Certificate of Analysis | Oct 25, 2024 | M100040 | |
| Certificate of Analysis | Oct 25, 2024 | M100040 | |
| Certificate of Analysis | Apr 13, 2023 | M100040 | |
| Certificate of Analysis | Apr 13, 2023 | M100040 | |
| Certificate of Analysis | Nov 14, 2022 | M100040 |
| Índice de refracción | 1.3879 |
|---|---|
| Punto de inflamación (°F) | 57.2 °F |
| Punto de inflamación (°C) | 12℃ |
| Punto de ebullición (°C) | 102°C |
| Punto de fusión (°C) | -95°C |
| Peso molecular | 102.130 g/mol |
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 102.068 Da |
| Monoisotopic Mass | 102.068 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 59.100 |
| 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. 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] |
| 2. Li Jing, Tang Chaohua, Yang Youyou, Hu Ying, Zhao Qingyu, Ma Qing, Yue Xiangpeng, Li Fadi, Zhang Junmin. (2023) Characterization of meat quality traits, fatty acids and volatile compounds in Hu and Tan sheep. Frontiers in Nutrition, [PMID:36866058] [10.3389/fnut.2023.1072159] |
| 3. Youyou Yang, Jing Li, Jiangtao Xing, Weihai Xing, Chaohua Tang, Zhenghua Rao, Junmin Zhang. (2022) Untargeted Profiling and Differentiation of Volatiles in Varieties of Meat Using GC Orbitrap MS. Foods, 11 (24): (3997). [PMID:36553738] [10.3390/foods11243997] |
| 4. Jing Li, Youyou Yang, Chaohua Tang, Shengnan Yue, Qingyu Zhao, Fadi Li, Junmin Zhang. (2022) Changes in lipids and aroma compounds in intramuscular fat from Hu sheep. FOOD CHEMISTRY, [PMID:35413762] [10.1016/j.foodchem.2022.132611] |
| 5. Mengdi Zhang, Xiaofeng Lei, Yang Lv, Xizheng Liu, Yi Ding. (2021) Reversible Low Temperature Li-Storage in Liquid Metal Based Anodes via a Co-Solvent Strategy†. CHINESE JOURNAL OF CHEMISTRY, 39 (10): (2801-2807). [PMID:] [10.1002/cjoc.202100309] |
| 6. Xiong Zheng, Yanqiong Bao, Dan Qu, Yu Liu, Guangzhao Qin. (2021) Measurement and modeling of thermal conductivity for short chain methyl esters: Methyl butyrate and methyl caproate. JOURNAL OF CHEMICAL THERMODYNAMICS, [PMID:] [10.1016/j.jct.2021.106486] |
| 7. Pingling Zhang, Shuang Liu, Zhengang Zhao, Lijun You, Mark D. Harrison, Zhanying Zhang. (2020) Enzymatic acylation of cyanidin-3-glucoside with fatty acid methyl esters improves stability and antioxidant activity. FOOD CHEMISTRY, [PMID:33160770] [10.1016/j.foodchem.2020.128482] |
| 8. Chengjie Wang, Tian Lan, Xiangyang Liu, Ying Zhang, Maogang He. (2020) Developing predictive model for the critical properties of fuels containing esters based on the experimental study of methyl butanoate + alcohols + n-alkanes mixtures. FUEL, [PMID:] [10.1016/j.fuel.2020.118306] |
| 9. Guanjia Zhao, Xiaona Liu, Zemin Yuan, Jianguo Yin, Suxia Ma. (2019) Liquid surface tension, kinematic viscosity, density and refractive index of the binary mixtures of n-hexadecane with methyl butyrate and methyl decanoate close to saturation conditions. FLUID PHASE EQUILIBRIA, [PMID:] [10.1016/j.fluid.2019.112448] |
| 10. Guanjia Zhao, Zemin Yuan, Jianguo Yin, Suxia Ma. (2019) Experimental Investigation of the Thermophysical Properties of the Bio-Aviation Fuel Surrogates: Binary and Ternary Mixtures of n-Dodecane, Methyl Butyrate, and Methyl Decanoate. JOURNAL OF CHEMICAL AND ENGINEERING DATA, [PMID:] [10.1021/acs.jced.9b00643] |
| 11. Chengjie Wang, Muhammad Salman, Xiangyang Liu, Ying Zhang, Maogang He. (2019) Critical properties for the mixtures of ethanol and some biodiesel surrogates. JOURNAL OF SUPERCRITICAL FLUIDS, [PMID:] [10.1016/j.supflu.2019.104591] |
| 12. 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] |
| 13. Zhang Peng, Chang Zhidong, Wang Dongyu, Blamo Benjamin John, Li Wenjun. (2016) Effect of Water Content on Product Distribution of Base-Catalyzed Transesterification. Waste and Biomass Valorization, 8 (1): (95-102). [PMID:] [10.1007/s12649-016-9584-3] |
| 14. Zhuomin Zhang, Yunjian Ma, Qingtang Wang, An Chen, Zhuoyan Pan, Gongke Li. (2013) Preparation of novel alumina nanowire solid-phase microextraction fiber coating for ultra-selective determination of volatile esters and alcohols from complicated food samples. JOURNAL OF CHROMATOGRAPHY A, [PMID:23582855] [10.1016/j.chroma.2013.03.052] |
| 15. Muhammad Salman, Nimra Javed, Kun Hou, Asim Shakeel, Maogang He, Xiangyang Liu. (2024) Experimental Determination of Isobaric Heat Capacity for Ethanol and Fatty Acid Alkyl Ester Mixtures at Pressures up to 20 MPa. JOURNAL OF CHEMICAL AND ENGINEERING DATA, [PMID:] [10.1021/acs.jced.4c00483] |
| 16. Wang Nannan, Bao Wei, Gouife Moussa, Xu Jiajie, Han Jiaojiao, Lu Chengyang, Ming Tinghong, Zhou Jun, Zhang Wenwen, Su Xiurong. (2024) Exploring the health benefits of traditionally fermented wax gourd: flavor substances, probiotics, and impact on gut microbiota. Frontiers in Sustainable Food Systems, [PMID:] [10.3389/fsufs.2024.1314537] |
| 17. Yuanyuan Huang, Jing Jin, Wei Cao, Yin Wang. (2024) Identification and Biotransformation of Volatile Markers During the Early Stage of Zygosaccharomyces rouxii and Zygosaccharomyces mellis Contamination in Acacia Honey. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:39392611] [10.1021/acs.jafc.4c06157] |
| 18. An He, Yufeng Zou, Jiaming Cai, Yuan Li, Yuting Wang, Dengyong Liu. (2025) Lactic acid bacteria and staphylococci improve swallowability of fermented meat pastes by modulating texture and flavor. Food & Function, [PMID:40742678] [10.1039/D5FO02066B] |
| 19. Yingying Hu, Iftikhar Hussain Badar, Dewei Huang, Bayierta Bayinbate, Baocai Xu, Lang Zhang. (2025) Elucidating the role of pH-induced structural alterations in myofibrillar proteins on their interaction with characteristic esters of dry fermented sausages. FOOD CHEMISTRY, [PMID:40850086] [10.1016/j.foodchem.2025.146025] |
| 20. Yuhang Yang, Jiahao Wang, Run Hong, Bingbing Qiu, Huaqiang Chu. (2025) Effect of different long-chain oxygenated fuels on the nanostructure and physico-chemical properties of soot in n-heptane flames: An experimental comparative study. FUEL, [PMID:] [10.1016/j.fuel.2025.136671] |
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