≥98%(GC) 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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
2-methylhexanoic acid has been identified as one of the volatile flavor compounds in the peel and pulp of doum fruit.
| Pubchem Sid | 488182634 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182634 |
| Canonical Smiles | CCCCC(C)C(=O)O |
| IUPAC Name | 2-methylhexanoic acid |
| InChIKey | CVKMFSAVYPAZTQ-UHFFFAOYSA-N |
| INCHI | 1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| Isomeric SMILES | CCCCC(C)C(=O)O |
| WGK Germany | 2 |
| RTECS | MO8400600 |
| Molecular Weight | 130.19 |
| Beilstein | 1721230 |
| Reaxy-Rn | 1721227 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721227&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 | Not available |
| Direct Parent | Medium-chain fatty acids |
| Alternative Parents | Methyl-branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Medium-chain fatty acid - Methyl-branched fatty acid - 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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. |
| 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 |
|---|---|---|---|
 I2608122 | Certificate of Analysis | Sep 11, 2026 | M158388 |
| E2113321 | Certificate of Analysis | Feb 07, 2025 | M158388 |
| E2113322 | Certificate of Analysis | Feb 07, 2025 | M158388 |
| C2623158 | Certificate of Analysis | Feb 21, 2023 | M158388 |
| D23031083 | Certificate of Analysis | Feb 21, 2023 | M158388 |
| D23031156 | Certificate of Analysis | Feb 21, 2023 | M158388 |
| D23031157 | Certificate of Analysis | Feb 21, 2023 | M158388 |
| D23031165 | Certificate of Analysis | Feb 21, 2023 | M158388 |
| D23031170 | Certificate of Analysis | Feb 21, 2023 | M158388 |
| D23031179 | Certificate of Analysis | Feb 21, 2023 | M158388 |
| E2410038 | Certificate of Analysis | Apr 21, 2021 | M158388 |
| Solubility | Soluble in water; Soluble in Ether,Alcohol |
|---|---|
| Refractive Index | 1.42 |
| Flash Point(°C) | 105 °C |
| Boil Point(°C) | 72 °C/5.3 mmHg |
| Molecular Weight | 130.180 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 130.099 Da |
| Monoisotopic Mass | 130.099 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 88.900 |
| 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. Yuqi Yang, Weibin Ma, Eric T. Johnson, Yanli Xie, Renyong Zhao. (2024) Antifungal effects of three natural branched medium-chain fatty acids and their potential as fumigants against Aspergillus flavus in stored peanut seeds. FOOD CONTROL, [PMID:] [10.1016/j.foodcont.2024.110950] |
| 2. Shi-Yi Wang, Chen Li, Yu-Jie Li, Guang-Qian Liu, Zhen-Ming Lu, Li-Juan Chai, Hong-Yu Xu, Jin-Song Shi, Song-Tao Wang, Cai-Hong Shen, Xiao-Juan Zhang, Zheng-Hong Xu. (2025) Evolution of aroma compounds in round soy sauce aroma type baijiu during aging and the effect of aging markers on the lasting aroma in finished glass. Food Chemistry-X, [PMID:39906068] [10.1016/j.fochx.2025.102193] |
| 3. 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] |
| 4. Qing-Ru Liu, Shun-Hua Zhang, Xiao-Juan Zhang, Zheng-Juan Zhu, Ru-Yi Li, Song-Tao Wang, Jin-Song Shi, Su-Yi Zhang, Cai-Hong Shen, Guan-Yu Fang, Qing-Qing Liu, Yong-Jun Yuan, Zheng-Hong Xu. (2025) Lactic acid modulates empty-cup aroma persistence in Baijiu via molecular interaction mechanisms: a case study of strong-aroma and soy-sauce-aroma Baijiu. FOOD CHEMISTRY, [PMID:41478090] [10.1016/j.foodchem.2025.147787] |
