≥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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488186371 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186371 |
| Canonical Smiles | CC(C)CCOC(=O)C(C)O |
| IUPAC Name | 3-methylbutyl 2-hydroxypropanoate |
| InChIKey | CRORGGSWAKIXSA-UHFFFAOYSA-N |
| INCHI | 1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3 |
| Isomeric SMILES | CC(C)CCOC(=O)C(C)O |
| Molecular Weight | 160.21 |
| Beilstein | 3(3)483 |
| Reaxy-Rn | 1703537 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703537&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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Carboxylic acid esters |
| Alternative Parents | Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). |
| External Descriptors | carboxylic ester |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2612225 | Certificate of Analysis | Mar 23, 2026 | I157469 |
| F2506082 | Certificate of Analysis | Jun 11, 2025 | I157469 |
| L2208642 | Certificate of Analysis | Dec 21, 2022 | I157469 |
| B1928087 | Certificate of Analysis | Dec 12, 2022 | I157469 |
| D2315449 | Certificate of Analysis | Dec 12, 2022 | I157469 |
| Refractive Index | 1.42 |
|---|---|
| Flash Point(°C) | 74 °C |
| Boil Point(°C) | 202°C |
| 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. 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] |
| 2. Yuting Ye, Lixia Wang, Ping Zhan, Honglei Tian, Jianshu Liu. (2021) Characterization of the aroma compounds of Millet Huangjiu at different fermentation stages. FOOD CHEMISTRY, [PMID:34339922] [10.1016/j.foodchem.2021.130691] |
| 3. Baoqing Bai, Lanqi Zhang, Ying Zhang, Bin Feng, Tao Bo, Jinhua Zhang, Sanhong Fan, Yukun Yang. (2024) Comparative analysis of flavor characteristics of two rounds of Qingxiangxing Baijiu by GC×GC-TOFMS, HS-GC-IMS, GC-E-nose and E-tongue. Food Bioscience, [PMID:] [10.1016/j.fbio.2024.105789] |
