≥96% 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756623 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756623 |
| Canonical Smiles | COC(=O)CCCBr |
| IUPAC Name | methyl 4-bromobutanoate |
| InChIKey | QAWFLJGZSZIZHO-UHFFFAOYSA-N |
| INCHI | 1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3 |
| Isomeric SMILES | COC(=O)CCCBr |
| Molecular Weight | 181.03 |
| Beilstein | 2(4)835 |
| Reaxy-Rn | 1745618 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1745618&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 | Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides |
| 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 - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - 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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2512564 | Certificate of Analysis | Jun 24, 2025 | M492178 |
| B23171104 | Certificate of Analysis | Feb 24, 2023 | M492178 |
| B23171105 | Certificate of Analysis | Feb 24, 2023 | M492178 |
| B23171118 | Certificate of Analysis | Feb 24, 2023 | M492178 |
| B2318050 | Certificate of Analysis | Feb 24, 2023 | M492178 |
| B2318065 | Certificate of Analysis | Feb 24, 2023 | M492178 |
| B2318161 | Certificate of Analysis | Feb 24, 2023 | M492178 |
| B2318162 | Certificate of Analysis | Feb 24, 2023 | M492178 |
| B2318165 | Certificate of Analysis | Feb 24, 2023 | M492178 |
| B2318200 | Certificate of Analysis | Feb 24, 2023 | M492178 |
| Refractive Index | 1.4590 to 1.4630 |
|---|---|
| Flash Point(°C) | 87 °C |
| Boil Point(°C) | 186-187℃ |
| Molecular Weight | 181.030 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 179.979 Da |
| Monoisotopic Mass | 179.979 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 72.800 |
| 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. Xiayu Liang, Qingle Zeng. (2022) Recovery of samarium(III) and cobalt(II) in synthetic nitric acid solutions using carboxyl functionalized ionic liquids and application to recycling SmCo permanent magnets. HYDROMETALLURGY, [PMID:] [10.1016/j.hydromet.2022.106016] |
| 2. Dawei Shang, Xiangping Zhang, Shaojuan Zeng, Kun Jiang, Hongshuai Gao, Haifeng Dong, Qingyuan Yang, Suojiang Zhang. (2016) Protic ionic liquid [Bim][NTf2] with strong hydrogen bond donating ability for highly efficient ammonia absorption. GREEN CHEMISTRY, 19 (4): (937-945). [PMID:] [10.1039/C6GC03026B] |
| 3. Xiaoling Cao, Yonghao Deng, Zhongye Xu, Tingting Wang, Bing Tang, Jiande Han, Rui Guo, Rong Yin. (2024) A versatile natural gelatin-based hydrogel for emergency wound treatment through hemostasis, antibacterial, and anti-inflammation. Biofabrication, 17 (1): (015017). [PMID:39437818] [10.1088/1758-5090/ad89ff] |
| 4. Xiayu Liang, Aylin M. Deliormanlı, Qingle Zeng. (2024) Poly(ionic liquids-acrylic acid)-modified MIL-101(Cr) metal−organic frameworks: Preparation and efficient adsorption of europium☆. JOURNAL OF RARE EARTHS, [PMID:] [10.1016/j.jre.2024.09.017] |
| 5. Renjie Li, Cewen Hu, Luyao Gao, Yunlei Zhang, Pei Zhang, Zengjie Fan, Ji Liu, Xiaoduo Zhao, Shuanhong Ma, Feng Zhou. (2024) In situ manufacture of hydrogel lubrication coating on damaged tissue to resist adhesion. Cell Reports Physical Science, [PMID:] [10.1016/j.xcrp.2024.102040] |
| 6. Feng He, Yang Liu, Shiyi Dai, Maozhong Sun, Liqiang Liu, Liguang Xu, Hua Kuang, Chuanlai Xu, Xinxin Xu. (2025) Lateral flow immunochromatographic assay based on computational chemistry-assisted hapten screening for the detection of ethoxyquin in food samples. FOOD CHEMISTRY, [PMID:40187320] [10.1016/j.foodchem.2025.144142] |
