≥97%(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.
| Pubchem Sid | 488187540 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187540 |
| Canonical Smiles | CCOC(=O)CCC(C)C |
| IUPAC Name | ethyl 4-methylpentanoate |
| InChIKey | OFQRUTMGVBMTFQ-UHFFFAOYSA-N |
| INCHI | 1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3 |
| Isomeric SMILES | CCOC(=O)CCC(C)C |
| WGK Germany | 3 |
| UN Number | 3272 |
| Packing Group | III |
| Molecular Weight | 144.21 |
| Reaxy-Rn | 1747377 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747377&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 | Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid 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 |
|---|---|---|---|
 D2312138 | Certificate of Analysis | Jan 20, 2026 | E169064 |
| K1929056 | Certificate of Analysis | Jun 16, 2025 | E169064 |
| D2116268 | Certificate of Analysis | Jan 03, 2024 | E169064 |
| D2116264 | Certificate of Analysis | Apr 25, 2021 | E169064 |
| Flash Point(°F) | 109.4 °F |
|---|---|
| Flash Point(°C) | 43 °C |
| Boil Point(°C) | 159-160 °C |
| Molecular Weight | 144.210 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115 Da |
| Monoisotopic Mass | 144.115 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 97.400 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| 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. Wang He, Zixuan Liu, Haoyue Liu, Jie Sun, Haitao Chen, Baoguo Sun. (2024) Characterization of key volatile flavor compounds in dried sausages by HS-SPME and SAFE, which combined with GC-MS, GC-O and OAV. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2024.106438] |
| 3. Bingkun Bao, Ying He, Jufang Li, Xiangyu Li, Hao Shi, Jinkuan Chen, Jinhan Zhao, Koukou Duan, Hongyu Zhang, Qinggang Xie, Jane Shearer, Zhigang Liu, Yongbo She. (2026) Gut microbiota-targeted 2’-fucosyllactose and lacto-N-neotetraose ameliorate maternal immune activation-induced autism spectrum disorder via the gut-immune-brain axis. Journal of Future Foods, [PMID:] [10.1016/j.jfutfo.2025.11.011] |
| 4. Huimao Liu, Dan Yang, Hanyan Cheng, Lijuan Cao, Xu Song, Xun Zhou, Yuanfeng Zou, Lixia Li, Renyong Jia, Dongmei Zhang, Mingyue Li, Zhongqiong Yin. (2026) Resveratrol Attenuates Neuroinflammation and Gut–Brain Axis Dysfunction Induced by Lead and Cadmium Co-Exposure by Modulating Gut Microbiota in Rats. PHYTOTHERAPY RESEARCH, [PMID:41839449] [10.1002/ptr.70301] |
