21 Citations
G2426360Determine the necessary mass, volume, or concentration for preparing a solution.
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Basic Description
| Synonyms | ETHYL BENZOATE | 93-89-0 | Benzoic acid, ethyl ester | Benzoic ether | Ethyl benzenecarboxylate | Benzoic Acid Ethyl Ester | Benzoyl ethyl ether | Ethylester kyseliny benzoove | FEMA No. 2422 | Ethyl benzoate (natural) | NSC 8884 | EINECS 202-284-3 | UNII-J115BRJ15H | J115BRJ15H | D |
|---|---|
| Specifications & Purity | CP, ≥98% |
| Shipped In | Normal |
| Grade | CP |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoate ester - Benzoyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
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Associated Targets(Human)
GSK3B
Tclin
Glycogen synthase kinase-3 beta (11785 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Rattus norvegicus (775804 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Thrips tabaci (33 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 | 504751262 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751262 |
| IUPAC Name | ethyl benzoate |
| INCHI | InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey | MTZQAGJQAFMTAQ-UHFFFAOYSA-N |
| Smiles | CCOC(=O)C1=CC=CC=C1 |
| Isomeric SMILES | CCOC(=O)C1=CC=CC=C1 |
| WGK Germany | 1 |
| RTECS | DH0200000 |
| Molecular Weight | 150.17 |
| Beilstein | 1908172 |
| Reaxy-Rn | 1908172 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1908172&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Moisture sensitive. |
|---|---|
| Refractive Index | 1.506 |
| Flash Point(°F) | 199.4 °F |
| Flash Point(°C) | 93℃ |
| Boil Point(°C) | 211-213°C |
| Melt Point(°C) | -34°C |
| Molecular Weight | 150.170 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 150.068 Da |
| Monoisotopic Mass | 150.068 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| 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 |
Citations of This Product
| 1. Yunzi Feng, Ziming Xie, Mingtao Huang, Xing Tong, Sha Hou, Hoeseng Tin, Mouming Zhao. (2023) Decoding temperature-driven microbial community changes and flavor regulation mechanism during winter fermentation of soy sauce. FOOD RESEARCH INTERNATIONAL, (113756). |
| 2. Weng Ming, Wang Xiuhua. (2023) Determination of Hansen Solubility Parameters of Raw Muscovite. CLAYS AND CLAY MINERALS, (1-11). |
| 3. Quanzeng Wei, Juntao Sun, Jiaqi Guo, Xiaofei Li, Xiaohua Zhang, Fugang Xiao. (2023) Authentication of chaste honey adulterated with high fructose corn syrup by HS-SPME-GC-MS coupled with chemometrics. LWT-FOOD SCIENCE AND TECHNOLOGY, 176 (114509). |
| 4. Jinjia Liu, Min Chen, Weihua Ma, Lifang Zheng, Bing Zhang, Huiting Zhao, Yusuo Jiang. (2023) Composition of Strawberry Flower Volatiles and Their Effects on Behavior of Strawberry Pollinators, Bombus terrestris and Apis mellifera. Agronomy-Basel, 13 (2): (339). |
| 5. Ting Li, Xi Zhao, Xueli Cao. (2023) Volatile Metabolome and Aroma Differences of Six Cultivars of Prunus mume Blossoms. Plants-Basel, 12 (2): (308). |
| 6. Xiaoqing Ye, Yan Liu, Changbo Peng, Xi Guan, Yi Liu, Zhenming Che, Hongbin Lin, Xu Min, Qi Zhu, Wenwu Ding. (2023) Contribution of microbial communities to flavors of Pixian Douban fermented in the closed system of multi-scale temperature and flow fields. LWT-FOOD SCIENCE AND TECHNOLOGY, 173 (114188). |
| 7. Jian Yao, Lun Gui, Qizhang Long. (2022) A chlorogenic acid esterase from a metagenomic library with unique substrate specificity and its application in caffeic and ferulic acid production from agricultural byproducts. BIOCATALYSIS AND BIOTRANSFORMATION, |
| 8. Yan Liu, Yimao Zhang, Yujiao Shi, Manna Zhang, Yi Liu, Zhenming Che, Hongbin Lin, Guangyuan Lv, Qi Zhu, Shirong Dong, Wenwu Ding. (2022) Flavor quality evaluation of Pixian Douban fermented in the closed system of multi-scale temperature and flow fields. LWT-FOOD SCIENCE AND TECHNOLOGY, 163 (113598). |
| 9. Dan Cao, Min Liu, Yung-Chih Su, Zehui Yang, Wentao Bi, David Da Yong Chen. (2022) Adsorption behavior of anthraquinones in deep eutectic solvent on polyester fiber and its application. Sustainable Chemistry and Pharmacy, 27 (100680). |
| 10. Jiahai Ding, Wei Guan, Leiyu Zhang, Xiudong Zhang, Chundong Zhang, Lei Wang, Hui Wan, Guofeng Guan. (2022) Investigation on the Isobaric Vapor–Liquid Equilibrium for the Binary Systems of Ethyl Benzoate with Xylene Isomers and Ethylbenzene. JOURNAL OF CHEMICAL AND ENGINEERING DATA, 67 (1): (192–199). |
| 11. Yao Jian, Gui Lun, Yin Shaocheng. (2021) A novel esterase from a soil metagenomic library displaying a broad substrate range. AMB Express, 11 (1): (1-10). |
| 12. Jie Du, Faqiong Zhao, Baizhao Zeng. (2021) Preparation of functionalized graphene and ionic liquid co-doped polypyrrole solid phase microextraction coating for the detection of benzoates preservatives. TALANTA, 228 (122231). |
| 13. Ning Xu, Yaqi Liu, Yong Hu, Mengzhou Zhou, Chao Wang, Dongsheng Li. (2016) Autolysis of Aspergillus oryzae Mycelium and Effect on Volatile Flavor Compounds of Soy Sauce. JOURNAL OF FOOD SCIENCE, 81 (8): (C1883-C1890). |
| 14. Xiaohong Yang, Changxia Li, Meiling Qi, Liangti Qu. (2016) Graphene-ZIF8 composite material as stationary phase for high-resolution gas chromatographic separations of aliphatic and aromatic isomers. JOURNAL OF CHROMATOGRAPHY A, 1460 (173). |
| 15. Youhong Ai, Mian Wu, Lulu Li, Faqiong Zhao, Baizhao Zeng. (2016) Highly selective and effective solid phase microextraction of benzoic acid esters using ionic liquid functionalized multiwalled carbon nanotubes-doped polyaniline coating. JOURNAL OF CHROMATOGRAPHY A, 1437 (1). |
| 16. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao. (2015) Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test. FOOD CHEMISTRY, 167 (220). |
| 17. Jin-Jun Hou, Wan-Ying Wu, Jian Liang, Zhou Yang, Hua-Li Long, Lu-Ying Cai, Lin Fang, Dan-Dan Wang, Shuai Yao, Xuan Liu, Bao-Hong Jiang, De-An Guo. (2014) A single, multi-faceted, enhanced strategy to quantify the chromatographically diverse constituents in the roots of Euphorbia kansui. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 88 (321). |
| 18. Yunzi Feng, Yu Cai, Guowan Su, Haifeng Zhao, Chenxia Wang, Mouming Zhao. (2014) Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China. FOOD CHEMISTRY, 145 (126). |
| 19. Baoqing Bai, Lanqi Zhang, Ying Zhang, Bin Feng, Tao Bo, Jinhua Zhang, Sanhong Fan, Yukun Yang. (2025) 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, 63 (105789). |
| 20. Qingtao Niu, Aihua He, Chongdian Si, Guodong Liu, Bolin Dai, Manman Jin. (2024) Effect of internal and external electron donors on stereospecific polymerization of isoprene with TiCl4/MgCl2 type Ziegler-Natta catalysts. Molecular Catalysis, 554 (113850). |
| 21. Chunyun Qu, Jianjun Li, Fuxin Liu, Yu Zeng, Yiyin Xu, Weidong Bai, Hao Dong, Gongliang Liu. (2025) Effects of biochar addition on the formation of aromas in fruit wine fermented by Zygosaccharomyces mellis LGL-1. Food Bioscience, 63 (105842). |
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