≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Pubchem Sid | 504756689 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756689 |
| Canonical Smiles | CCOC(=O)C(CC(C)C)O |
| IUPAC Name | ethyl 2-hydroxy-4-methylpentanoate |
| InChIKey | QRHOWVDPHIXNEN-UHFFFAOYSA-N |
| INCHI | 1S/C8H16O3/c1-4-11-8(10)7(9)5-6(2)3/h6-7,9H,4-5H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)C(CC(C)C)O |
| Molecular Weight | 160.21 |
| Beilstein | 3336 |
| Reaxy-Rn | 1722633 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722633&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 | Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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 |
|---|---|---|---|
 K2118207 | Certificate of Analysis | Sep 04, 2025 | E156251 |
| K2118211 | Certificate of Analysis | Sep 04, 2025 | E156251 |
| K2118215 | Certificate of Analysis | Sep 04, 2025 | E156251 |
| L2412464 | Certificate of Analysis | Nov 30, 2024 | E156251 |
| L2412465 | Certificate of Analysis | Nov 30, 2024 | E156251 |
| D2407216 | Certificate of Analysis | Mar 08, 2024 | E156251 |
| Sensitivity | heat sensitive |
|---|---|
| Refractive Index | 1.42 |
| Flash Point(°C) | 74 °C |
| Boil Point(°C) | 185°C(lit.) |
| Molecular Weight | 160.210 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 160.11 Da |
| Monoisotopic Mass | 160.11 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 121.000 |
| 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. Yu Mu, Jun Huang, Rongqing Zhou, Suyi Zhang, Hui Qin, Hanlan Tang, Qianglin Pan, Huifang Tang. (2023) Characterization of the differences in aroma-active compounds in strong-flavor Baijiu induced by bioaugmented Daqu using metabolomics and sensomics approaches. FOOD CHEMISTRY, [PMID:37247603] [10.1016/j.foodchem.2023.136429] |
| 2. Ruifang Wang, Qingzhen Zhu, Lina Qiao, Jing Wang, Shengbao Feng, Hailang Sun, Ning Zhang, Baoguo Sun, Jinyuan Sun, Hehe Li, Haitao Chen. (2023) Characterization of the key aroma-active compounds in Qingke baijiu by application of the sensory approach. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2023.105196] |
| 3. Min Li, Ping Zhan, Peng Wang, Honglei Tian, Jingzhang Geng, Lixia Wang. (2022) Characterization of aroma-active compounds changes of Xiecun Huangjius with different aging years based on odor activity values and multivariate analysis. FOOD CHEMISTRY, [PMID:36368097] [10.1016/j.foodchem.2022.134809] |
| 4. Lin Yuan, Yunjie Li, Liuyan Zheng, Yifan Qin, Xin Zhang, Lijuan Ma, Huan Zhang, Liping Du. (2025) Impact of organic acids on aroma release in light-flavor Baijiu: A focus on key aroma-active compounds. Food Bioscience, [PMID:] [10.1016/j.fbio.2025.106071] |
| 5. Baoqing Bai, Shijie Niu, Junnan Li, Bin Feng, Tao Bo, Jinhua Zhang, Ying Zhang, Yukun Yang. (2026) Effects of fermentation with different coarse cereals on antioxidant capacity, flavor profiles and sensory characteristics of Huangjiu. JOURNAL OF CEREAL SCIENCE, [PMID:] [10.1016/j.jcs.2026.104389] |
