≥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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Methyl 2-methylbutyrate is the main component of the fragrance of Victoria. It is the volatile constituent of osmeterial secretions of 5th larval instars of a swallowtail, Papilio protenor demetrius.
| Pubchem Sid | 488181838 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181838 |
| Canonical Smiles | CCC(C)C(=O)OC |
| IUPAC Name | methyl 2-methylbutanoate |
| InChIKey | OCWLYWIFNDCWRZ-UHFFFAOYSA-N |
| INCHI | 1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3 |
| Isomeric SMILES | CCC(C)C(=O)OC |
| WGK Germany | 2 |
| Molecular Weight | 116.16 |
| Reaxy-Rn | 1720409 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720409&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 esters |
| Alternative Parents | Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid 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 |
| Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| 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 |
|---|---|---|---|
 G2501524 | Certificate of Analysis | Jul 10, 2024 | M157989 |
| G2501573 | Certificate of Analysis | Jul 10, 2024 | M157989 |
| G2501574 | Certificate of Analysis | Jul 10, 2024 | M157989 |
| E1916105 | Certificate of Analysis | Mar 08, 2023 | M157989 |
| C2517188 | Certificate of Analysis | Jul 30, 2022 | M157989 |
| J2213862 | Certificate of Analysis | Jul 30, 2022 | M157989 |
| J2213863 | Certificate of Analysis | Jul 30, 2022 | M157989 |
| J2213887 | Certificate of Analysis | Jul 30, 2022 | M157989 |
| Refractive Index | 1.394 |
|---|---|
| Flash Point(°F) | 61°F |
| Flash Point(°C) | 16℃ |
| Boil Point(°C) | 114-116℃ |
| Molecular Weight | 116.160 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.084 Da |
| Monoisotopic Mass | 116.084 Da |
| Topological Polar Surface Area | 26.300 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. Qingfu Zhang, Yuzhu Wang, Guangqiang Xu, Rulin Yang, Rui Li, Qinggang Wang. (2023) Organocatalytic depolymerization of poly(3-hydroxybutyrate) to crotonic acid. POLYMER DEGRADATION AND STABILITY, [PMID:] [10.1016/j.polymdegradstab.2023.110591] |
| 2. Liu Ying, Liu Xin, Gao Ying, Dong Shijian, Xiang Xiaole, Ma Lulu, Li Shugang. (2023) Recognition and identification of compounds contributing to off-flavor of egg white powder by molecular sensory science approach. EUROPEAN FOOD RESEARCH AND TECHNOLOGY, 249 (7): (1749-1759). [PMID:] [10.1007/s00217-023-04249-2] |
| 3. Shuang Chen, Jialing Lu, Michael Qian, Hongkui He, Anjun Li, Jun Zhang, Xiaomei Shen, Jiangjing Gao, Yan Xu. (2021) Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry in Combination with Chemometrics for Detecting the Age of Chinese Liquor (Baijiu). Foods, 10 (11): (2888). [PMID:34829169] [10.3390/foods10112888] |
| 4. Cong Fan, Jian Fan, Haofeng Chen, Shujin Lin, Danli Zhang, Jingya Song, Junyi Wang, Yan Wang, Xiao Han, Jifeng Yuan. (2025) Switching the yeast metabolism via manipulation of sugar phosphorylation. METABOLIC ENGINEERING, [PMID:39988025] [10.1016/j.ymben.2025.02.008] |
| 5. Mingzhu Zhou, Yiting Lu, Jinyu Yu, Chao Wang, Wei Yu, Liu Shi, Wenjin Wu, Lan Wang, Yu Qiao. (2025) Characterization of off-flavor compounds in ready-to-heat roasted catfish after reheating by sensomics approach. Food Chemistry-X, [PMID:40831966] [10.1016/j.fochx.2025.102872] |
