≥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 11 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504751306 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751306 |
| Canonical Smiles | CCCC(C)C(=O)O |
| IUPAC Name | 2-methylpentanoic acid |
| InChIKey | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
| INCHI | 1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| Isomeric SMILES | CCCC(C)C(=O)O |
| UN Number | 3265 |
| Packing Group | I |
| Molecular Weight | 116.16 |
| Reaxy-Rn | 1720655 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720655&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 |
| Molecular Weight | 116.160 g/mol |
|---|---|
| XLogP3 | 1.800 |
| 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 | 78.600 |
| 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. Wei Liu, Yajia Ji, Peiyun Sun, Jingwen Zhang, Zhao Dai, Jing Zhao, Haokang Cui, Junfu Wei, Huan Zhang. (2023) Novel Pt/COF Janus micromotor with bowl-like structure as an effective catalyst in extremely acidic environments. JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY, [PMID:] [10.1016/j.jiec.2023.11.042] |
| 2. Dongpeng Wang, Yan Dong, Ying Xie, Yangxin Xiao, Chang Ke, Kun Shi, Zhongshi Zhou, Jiyuan Tu, Linghang Qu, Yanju Liu. (2023) Atractylodes lancea Rhizome Polysaccharide Alleviates Immunosuppression and Intestinal Mucosal Injury in Mice Treated with Cyclophosphamide. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:37861444] [10.1021/acs.jafc.3c05173] |
| 3. Hong Song, Rui Guo, Xianbao Sun, Yuxing Kou, Xuan Ma, Yinan Chen, Lihua Song, Chunmei Yuan, Yan Wu. (2023) Xylooligosaccharides from corn cobs alleviate loperamide-induced constipation in mice via modulation of gut microbiota and SCFA metabolism. Food & Function, [PMID:37694718] [10.1039/D3FO02688D] |
| 4. 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] |
| 5. Qiaoyu He, Yumeng Shi, Hong Xing, Qian Tang, Jing Liu, Chunxia Li, Han Zhang, Boli Zhang, Junhua Zhang, Xiaopeng Chen. (2022) Modulating effect of Xuanfei Baidu granule on host metabolism and gut microbiome in rats.. Frontiers in Pharmacology, [PMID:36147334] [10.3389/fphar.2022.922642] |
| 6. Yiwen Cao, Shenjie Zhu, Lin Zhang, Qun Cui, Haiyan Wang. (2021) Qualitative and quantitative determination of trace aldehydes and ketones in food preservative propionic acid for quality improvement. Analytical Methods, 13 (26): (2989-2996). [PMID:34124731] [10.1039/D1AY00742D] |
| 7. Menghan Li, Rongrong Zhu, Xiaoxia Song, Zhijun Wang, Hongbo Weng, Jianying Liang. (2020) A sensitive method for the quantification of short-chain fatty acids by benzyl chloroformate derivatization combined with GC-MS. ANALYST, 145 (7): (2692-2700). [PMID:32073098] [10.1039/D0AN00005A] |
| 8. Yang Li, Ying Wang, Longbo Zhang, Yanru Zhang, Jia Guo, Yanyan Wang, Chenglong Yu, Jun He, Zhenpeng Wang, Juanjuan Han, Qian Li, Tianbin Wu, Qingli Qian, Buxing Han. (2025) Iridium-Catalyzed Hydrocarboxylation of Olefins with CO2 and H2. MOLECULES, 30 (7): (1599). [PMID:40286201] [10.3390/molecules30071599] |
| 9. Yuhang Xu, Jing Li, Mengyao Cui, Xiaoliang Li, Hongyan Zhai, Deling Wu, Xiaoqin Chu. (2025) Therapeutic effects of medicinal and food-based traditional herbal couples on type 2 diabetes mellitus based on pharmacodynamics and pharmacokinetics. Frontiers in Pharmacology, [PMID:40351422] [10.3389/fphar.2025.1560271] |
| 10. Xu Jin-Di, Gao Xiao-Qin, Zhong Rong-Ling, Zhou Jing, Wang Ting, Chen Can, Yao Wei-Feng, Geng Ting, Zhang Yi, Li Song-Lin, Zhang Li. (2025) Feasibility of vinegar processing of toxic herbs in Shi–Zao–Tang: toxicity reduction, efficacy preservation in malignant ascites rats and underlying pharmacodynamic mechanisms. Chinese Medicine, 20 (1): (1-23). [PMID:41044610] [10.1186/s13020-025-01224-9] |
| 11. 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:41955859] [10.1016/j.chroma.2026.466950] |
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