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Basic Description
| Synonyms | DSSTox_CID_2006 | EINECS 205-572-7 | Hexyl acetate, 99% | ACETIC ACID, HEXYL ESTER | Hexyl acetate, >=98%, FCC, FG | 4-02-00-00159 (Beilstein Handbook Reference) | A0032 | Acetic acid-hexyl ester | DSSTox_GSID_29061 | DTXCID602006 | l-Hexyl acetate | FEMA |
|---|---|
| Specifications & Purity | CP, ≥98% |
| Biochemical and Physiological Mechanisms | Hexyl acetate has antimicrobial activity and can be used to improve the safety of minimally processed fruits. Hexyl acetate is a fruity smelling fluid used as flavoring agent or in perfumes. Hexyl acetate is a green leaf volatile from cabbage Brassica ole |
| Shipped In | Normal |
| Grade | CP |
| Product Description |
Hexyl acetate was used to study the activity of diamondback moth sex pheromone and larval frass volatiles, as well as green leaf volatiles from cabbage, on the natural enemies of the pest. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
- Subclass Carboxylic acid derivatives
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Class
Carboxylic acids and derivatives
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Superclass
Organic acids and derivatives
| 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 | Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 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 | Wax monoesters |
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Associated Targets(non-human)
Plutella xylostella (1838 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Bursaphelenchus xylophilus (372 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504751763 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751763 |
| IUPAC Name | hexyl acetate |
| INCHI | InChI=1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3 |
| InChIKey | AOGQPLXWSUTHQB-UHFFFAOYSA-N |
| Smiles | CCCCCCOC(=O)C |
| Isomeric SMILES | CCCCCCOC(=O)C |
| WGK Germany | 1 |
| RTECS | AI0875000 |
| UN Number | 1993 |
| Packing Group | I |
| Molecular Weight | 144.21 |
| Beilstein | 1747138 |
| Reaxy-Rn | 1747138 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747138&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2506510 |
Certificate of Analysis | May 26, 2025 | H111062 |
| F2506600 |
Certificate of Analysis | May 26, 2025 | H111062 |
| F2506601 |
Certificate of Analysis | May 26, 2025 | H111062 |
| F2503336 |
Certificate of Analysis | May 26, 2025 | H111062 |
| F2503337 |
Certificate of Analysis | May 26, 2025 | H111062 |
| F2503362 |
Certificate of Analysis | May 26, 2025 | H111062 |
| C2513456 |
Certificate of Analysis | Mar 05, 2025 | H111062 |
| C2513508 |
Certificate of Analysis | Mar 05, 2025 | H111062 |
| C2517791 |
Certificate of Analysis | Mar 05, 2025 | H111062 |
| K2313456 |
Certificate of Analysis | Nov 07, 2023 | H111062 |
| K2313457 |
Certificate of Analysis | Nov 07, 2023 | H111062 |
| K2313455 |
Certificate of Analysis | Nov 07, 2023 | H111062 |
| H1518064 |
Certificate of Analysis | Apr 13, 2023 | H111062 |
| H2222051 |
Certificate of Analysis | Aug 12, 2022 | H111062 |
| H2220376 |
Certificate of Analysis | Aug 12, 2022 | H111062 |
| D2314559 |
Certificate of Analysis | Aug 12, 2022 | H111062 |
| H2220393 |
Certificate of Analysis | Aug 12, 2022 | H111062 |
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Chemical and Physical Properties
| Refractive Index | 1.409 |
|---|---|
| Flash Point(°F) | 131 °F |
| Flash Point(°C) | 43℃ |
| Boil Point(°C) | 169.2°C |
| Melt Point(°C) | -80°C |
| Molecular Weight | 144.210 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| 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 | 89.300 |
| 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 |
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Citations of This Product
| 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, 424 (136429). |
| 2. Die Hu, Wei Chen, Aiqing Miao, Xiaoyan Qiao, Hongling Xia, Chengying Ma. (2023) Analysis of volatile emission of tea (Camellia sinensis) shoots in response to temperature-dependent postharvest treatments. EUROPEAN JOURNAL OF AGRONOMY, 146 (126821). |
| 3. Jing Li, Youyou Yang, Chaohua Tang, Shengnan Yue, Qingyu Zhao, Fadi Li, Junmin Zhang. (2022) Changes in lipids and aroma compounds in intramuscular fat from Hu sheep. FOOD CHEMISTRY, 383 (132611). |
| 4. Wei Fu, Linxin Xu, Qiwen Yu, Jiajia Fang, Guohua Zhao, Yi Li, Chenying Pan, Hao Dong, Di Wang, Haiyan Ren, Yi Guo, Qingjun Liu, Jun Liu, Xing Chen. (2022) Artificial Intelligent Olfactory System for the Diagnosis of Parkinson’s Disease. ACS Omega, 7 (5): (4001–4010). |
| 5. 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, 137 (109535). |
| 6. Xuyang Xiong, Liyong Ding, Qingqian Wang, Yongxiu Li, Qingqing Jiang, Juncheng Hu. (2016) Synthesis and photocatalytic activity of BiOBr nanosheets with tunable exposed {0 1 0} facets. APPLIED CATALYSIS B-ENVIRONMENTAL, 188 (283). |
| 7. Hao Chen, Yingwu Luo. (2011) Facile Synthesis of Nanocapsules and Hollow Nanoparticles Consisting of Fluorinated Polymer Shells by Interfacial RAFT Miniemulsion Polymerization. MACROMOLECULAR CHEMISTRY AND PHYSICS, 212 (7): (737-743). |
| 8. Sanyan Lai, Ning Yi, Shixin Yin, Yipeng Huang, Tianlin Shen, Qianying Dai, Liping Gao, Xiaolan Jiang, Tao Xia. (2024) Biochemical characterization of CsCXEs: Carboxylesterase enhances the biosynthesis of green odor volatiles during tea processing. Horticultural Plant Journal, |
| 9. Wenyi Duan, Zhenyu Yao, Chengkui Qiao, Junren Meng, Shihang Sun, Lei Pan, Liang Niu, Guochao Cui, Zhiqiang Wang, Wenfang Zeng. (2025) Combined volatile metabolome and transcriptome analysis of 60 peach cultivars provide new insights into the formation of aroma and the identification of associated genes. Horticultural Plant Journal, |
| 10. 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, 203 (115866). |
| 11. 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). |
| 12. Mingming Zhao, Zhiheng You, Huayun Chen, Xiao Wang, Yibin Ying, Yixian Wang. (2024) Integrated Fruit Ripeness Assessment System Based on an Artificial Olfactory Sensor and Deep Learning. Foods, 13 (5): (793). |
| 13. Mingming Zhao, Huizi Lu, Zhiheng You, Huayun Chen, Xiao Wang, Yaqing Zhang, Yixian Wang. (2024) Olfactory Visualization Sensing Array Made with CelluMOFs to Predict Fruit Ripeness Using Deep Learning. ACS Applied Materials & Interfaces, 16 (42): (56623-56633). |
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