≥98% 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 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181707 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181707 |
| Canonical Smiles | CC(C)CCC(=O)O |
| IUPAC Name | 4-methylpentanoic acid |
| InChIKey | FGKJLKRYENPLQH-UHFFFAOYSA-N |
| INCHI | 1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| Isomeric SMILES | CC(C)CCC(=O)O |
| WGK Germany | 3 |
| RTECS | NR2975000 |
| UN Number | 2810 |
| Molecular Weight | 116.16 |
| Beilstein | 1741912 |
| Reaxy-Rn | 1741912 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741912&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 acids and conjugates |
| Intermediate Tree Nodes | Branched fatty acids |
| Direct Parent | Methyl-branched fatty acids |
| Alternative Parents | Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Methyl-branched fatty acid - Monocarboxylic acid or derivatives - 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 methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. |
| External Descriptors | Branched fatty acids |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K1805022 | Certificate of Analysis | Jun 15, 2026 | M117869 |
| A2622023 | Certificate of Analysis | Feb 04, 2026 | M117869 |
| C2228117 | Certificate of Analysis | Jan 19, 2026 | M117869 |
| C2228122 | Certificate of Analysis | Jan 19, 2026 | M117869 |
| C2228138 | Certificate of Analysis | Jan 19, 2026 | M117869 |
| C2228158 | Certificate of Analysis | Jan 19, 2026 | M117869 |
| L2111254 | Certificate of Analysis | Sep 17, 2025 | M117869 |
| H2513053 | Certificate of Analysis | Aug 25, 2025 | M117869 |
| G2119052 | Certificate of Analysis | May 09, 2025 | M117869 |
| D2106046 | Certificate of Analysis | Jan 09, 2025 | M117869 |
| K2520776 | Certificate of Analysis | Jul 04, 2024 | M117869 |
| Solubility | Soluble in alcohol. Slightly soluble in water. |
|---|---|
| Refractive Index | 1.414 |
| Flash Point(°F) | 206.6 °F |
| Flash Point(°C) | 97 °C |
| Boil Point(°C) | 199-201°C |
| Melt Point(°C) | -35°C |
| Molecular Weight | 116.160 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.084 Da |
| Monoisotopic Mass | 116.084 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 76.600 |
| 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. Yu-Heng Mao, Minghan Wang, Yu Yuan, Jing-Kun Yan, Yanqun Peng, Guoqin Xu, Xiquan Weng. (2023) Konjac Glucomannan Counteracted the Side Effects of Excessive Exercise on Gut Microbiome, Endurance, and Strength in an Overtraining Mice Model. Nutrients, 15 (19): (4206). [PMID:37836491] [10.3390/nu15194206] |
| 2. Yao Yuan, Feng Suya, Li Xuejiao, Liu Taohua, Ye Shengying, Ma Long, Man Shuli. (2023) Litchi procyanidins inhibit colon cancer proliferation and metastasis by triggering gut-lung axis immunotherapy. Cell Death & Disease, 14 (2): (1-11). [PMID:36774343] [10.1038/s41419-022-05482-5] |
| 3. Ni-Na Xie, Cheng-Ying Wu, Qiong Ge, Jing Zhou, Fang Long, Qian Mao, Song-Lin Li, Hong Shen. (2022) Structure-specific antitumor effects and potential gut microbiota-involved mechanisms of ginseng polysaccharides on B16F10 melanoma-bearing mice. Food & Function, 14 (2): (796-809). [PMID:36607268] [10.1039/D2FO03383F] |
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| 5. Chen Wang, Mei Qiu, Shuo Wang, Jinjin Luo, Ling Huang, Qi Deng, Zhijia Fang, Lijun Sun, Ravi Gooneratne. (2024) Gut-Microbiota-Derived Butyric Acid Overload Contributes to Ileal Mucosal Barrier Damage in Late Phase of Chronic Unpredictable Mild Stress Mice. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 25 (23): (12998). [PMID:39684708] [10.3390/ijms252312998] |
| 6. Benyue Sun, Wenwen Xie, Xuejiao Li, Taohua Liu, Jingjing Bai, Yuan Yao, Long Ma, Shuli Man. (2024) Inulin enhanced rifaximin-inhibited colon cancer pulmonary metastasis by flora-regulated bile acid pathway. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:38955301] [10.1016/j.ijbiomac.2024.133582] |
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| 8. Ke Xing, Si Yang, Jing Tao, Sun-Yan Liang, Su-Yun Kong, Sheng Qin. (2025) Volatile organic compounds of the solid fumigant prepared by strain Streptomyces setonii WY228 control gray mold disease in postharvest strawberries. POSTHARVEST BIOLOGY AND TECHNOLOGY, [PMID:] [10.1016/j.postharvbio.2025.113715] |
| 9. Chen Yang, Yang Jian-xia, Yv Tian, Zhang Xin-rui, Gong Gui-zhen, Zhu Yuan-ting, Yao Jin, Wu Yi, Zhang Yv-han. (2025) Screening of xylo-oligosaccharide-utilizing lactic acid bacteria from yak calves and characterization of Limosilactobacillus mucosae YT200. JOURNAL OF APPLIED MICROBIOLOGY, [PMID:41032332] [10.1093/jambio/lxaf246] |
| 10. Chenqing Zhang, Juan Zhang, Zhiyu Zhang, Jing Yan, Zhuoyue Hou, Shusheng Zhang, Kai Hu. (2026) Fabrication of a Robust Phenothiazine Hyper-crosslinked Polymer Coated Fiber for the Determination of Short-Chain Fatty Acids in Rat Faeces by HS-SPME/GC-FID. JOURNAL OF CHROMATOGRAPHY A, [PMID:] [10.1016/j.chroma.2026.466950] |
