≥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 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504753103 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753103 |
| 정식 스마일 | CCCCCCOC(=O)CCCCC |
| IUPAC Name | hexyl hexanoate |
| InChIKey | NCDCLPBOMHPFCV-UHFFFAOYSA-N |
| INCHI | 1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3 |
| 이성체 SMILES | CCCCCCOC(=O)CCCCC |
| RTECS | MO8385000 |
| 분자량 | 200.32 |
| Beilstein | 2(4)922 |
| Reaxy-Rn | 1762037 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1762037&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 |
| 분류 | 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 |
| 설명 | 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 | Wax monoesters |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 F1706089 | Certificate of Analysis | Jan 21, 2025 | H156876 |
| A2614165 | Certificate of Analysis | Jul 06, 2024 | H156876 |
| F2504445 | Certificate of Analysis | Jul 06, 2024 | H156876 |
| F2504446 | Certificate of Analysis | Jul 06, 2024 | H156876 |
| F2504447 | Certificate of Analysis | Jul 06, 2024 | H156876 |
| D2409041 | Certificate of Analysis | Jul 21, 2022 | H156876 |
| G2213579 | Certificate of Analysis | Jul 21, 2022 | H156876 |
| G2405016 | Certificate of Analysis | Jul 21, 2022 | H156876 |
| F2504102 | Certificate of Analysis | Jun 18, 2022 | H156876 |
| G2321106 | Certificate of Analysis | Jun 18, 2022 | H156876 |
| H2231576 | Certificate of Analysis | Jun 18, 2022 | H156876 |
| H2231578 | Certificate of Analysis | Jun 18, 2022 | H156876 |
| 굴절률 | 1.42 |
|---|---|
| 끓는점(°C) | 244°C(lit.) |
| 분자량 | 200.320 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 200.178 Da |
| Monoisotopic Mass | 200.178 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| 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. Qincao Chen, Penghui Yu, Ziyi Li, Yuhang Wang, Yafang Liu, Yin Zhu, Haihui Fu. (2023) Re-Rolling Treatment in the Fermentation Process Improves the Aroma Quality of Black Tea. Foods, 12 (19): (3702). [PMID:37835355] [10.3390/foods12193702] |
| 2. Baosong Wang, Mingguang Yu, Yuan Tang, Ying Wang, Tianze Xia, Huanlu Song. (2023) Characterization of odor-active compounds in Dahongpao Wuyi Rock Tea (Camellia sinensis) by sensory-directed flavor analysis. JOURNAL OF FOOD COMPOSITION AND ANALYSIS, [PMID:] [10.1016/j.jfca.2023.105612] |
| 3. Fu-Zhen Zhou, Li-Hua Xie, Xin-Hao Yu, Xiao-Quan Yang, Shou-Wei Yin. (2023) One-Step Generation of O/W/O Double Pickering Emulsions Utilizing Biocompatible Gliadin/Ethyl Cellulose Complex Particles as the Exclusive Stabilizer. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:37548190] [10.1021/acs.jafc.3c03856] |
| 4. 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] |
| 5. Xin-Hao Yu, Fu-Zhen Zhou, Yong-Kang Xi, Xiao-Nan Huang, Shou-Wei Yin, Xiao-Quan Yang. (2022) Ethyl cellulose-chitosan complex particles stabilized W/O Pickering emulsion as a recyclable bio-catalytic microreactor. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [PMID:] [10.1016/j.colsurfa.2022.128375] |
| 6. Jilai Cui, Xiaoting Zhai, Danyang Guo, Wenkai Du, Ting Gao, Jie Zhou, Wilfried G. Schwab, Chuankui Song. (2021) Characterization of Key Odorants in Xinyang Maojian Green Tea and Their Changes During the Manufacturing Process. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:34932338] [10.1021/acs.jafc.1c06473] |
| 7. Zi Ye, Zhixun Shang, Meiqi Li, Yonghan Qu, Hongjin Long, Junjie Yi. (2020) Evaluation of the physiochemical and aromatic qualities of pickled Chinese pepper (Paojiao) and their influence on consumer acceptability by using targeted and untargeted multivariate approaches. FOOD RESEARCH INTERNATIONAL, [PMID:33233164] [10.1016/j.foodres.2020.109535] |
| 8. Yanning Qu, Renliang Huang, Wei Qi, Qi Qu, Rongxin Su, Zhimin He. (2017) Structural Insight into Stabilization of Pickering Emulsions with Fe3O4@SiO2 Nanoparticles for Enzyme Catalysis in Organic Media. PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION, 34 (7): (1700117). [PMID:] [10.1002/ppsc.201700117] |
| 9. Xiaoying Li, Chunsheng Liu, Junkai Wu, Kai Su, Xiao Xiao, Libin Zhang, B. Loye Eberhart, Caixia Chen, Fuhang Song. (2025) Comprehensive investigation on the dynamic changes of volatile organic compounds in three peach cultivars during fruit development. FOOD RESEARCH INTERNATIONAL, [PMID:40022387] [10.1016/j.foodres.2025.115866] |
| 10. Xiaoying Li, Chunsheng Liu, Junkai Wu, Xiao Xiao, Libin Zhang, Caixia Chen, Annette S. Wilson, Fuhang Song. (2024) Ester-related volatile compounds reveal the diversity and commonalities of different types of late-ripening peaches. JOURNAL OF FOOD SCIENCE, 89 (3): (1485-1497). [PMID:38317483] [10.1111/1750-3841.16943] |
| 11. Cong Zhang, Rui Cui, Liang Qi, Minhua Zong, Canyu Zhang, Yufei Cao, Wenyong Lou. (2025) Agar-based Pickering emulsion: A platform for enzymatic and chemoenzymatic synthesis. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.167562] |
| 12. Xiaoying Li, Gang Li, Haijing Wang, Chunsheng Liu, Chunrui Rong, Fuhang Song, Caixia Chen, Junkai Wu. (2025) Characterization of volatile flavor profiles in three peach cultivars during postharvest storage at various temperatures using HS-SPME-GC–MS. Food Chemistry-X, [PMID:40497035] [10.1016/j.fochx.2025.102554] |
| 13. Chengzhe Zhou, Jiaxin Fang, Shuaibo Shao, Cheng Zhang, Caiyun Tian, Zhengdong Zhang, Anru Zheng, Yuting Li, Siwei Deng, Changlian Wu, Shengjing Wen, Nadang Long, Zhong Wang, Yuqiong Guo. (2026) Decoding volatile compound-aroma attribute correlations in representative Oolong Teas of Fujian: An integrated objective quantification and GC–MS profiling method. FOOD CHEMISTRY, [PMID:41698277] [10.1016/j.foodchem.2026.148424] |
