Ethyl butyrate - Standard for GC, ≥99.5%(GC) , CAS No.105-54-4

CAS: 105-54-4 Cat. No.: E101116 Molecular Weight: 116.16 Beilstein Registry Number: 506331 EC Number: 203-306-4

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

BRN 0506331 | EN300-54773 | Butyric acid-ethyl ester | Ethyl butyrate, analytical standard | Ethyl n-butyrate | Ethyl butyrate [UN1180] [Flammable liquid] | Ethyl butyrate, 99% | CCRIS 6554 | Ethyl butyrate, >=98%, FCC, FG | F0001-0107 | SCHEMBL6115 | ET

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Synonyms

BRN 0506331 | EN300-54773 | Butyric acid-ethyl ester | Ethyl butyrate, analytical standard | Ethyl n-butyrate | Ethyl butyrate [UN1180] [Flammable liquid] | Ethyl butyrate, 99% | CCRIS 6554 | Ethyl butyrate, >=98%, FCC, FG | F0001-0107 | SCHEMBL6115 | ET

Specifications & Purity

Standard for GC, ≥99.5%(GC)

Storage

Room temperature, Desiccated

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Standard for GC

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: CCCC(=O)OCC
• IUPAC Name: ethyl butanoate
• InChIKey: OBNCKNCVKJNDBV-UHFFFAOYSA-N
• INCHI: 1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
• Isomeric SMILES: CCCC(=O)OCC
• WGK Germany: 1
• RTECS: ET1660000
• UN Number: 1180
• Packing Group: III
• Molecular Weight: 116.16
• Beilstein: 506331
• Reaxy-Rn: 506331
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506331&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water and glycerol, soluble in ethanol and ether.
• Refractive Index: 1.4
• Flash Point(°F): 78.8 °F
• Flash Point(°C): 25℃
• Boil Point(°C): 120-121°C
• Melt Point(°C): -93°C
• Molecular Weight: 116.160 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 116.084 Da
• Monoisotopic Mass: 116.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 68.900
• 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

References

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,      [PMID:38225154] [10.1016/j.foodres.2023.113756]

2. Jianjun Cheng, Jiawei Gui, Xiaoming Yao, Hong Zhao, Yujie Zhou, Yongjun Du.  (2023)  Functional Identification of Olfactory Receptors of Cnaphalocrocis medinalis (Lepidoptera: Crambidae) for Plant Odor.  Insects,  14  (12): (930).  [PMID:38132603] [10.3390/insects14120930]

3. Yanmei Zhu, Fushuang Xiang, Yuanyuan Su, Xue Jiang, Yipeng Cang, Wanjun Long, Wei Lan, Gaoqiong Deng, Hengye Chen, Yuanbin She, Haiyan Fu.  (2023)  Authenticity identification of high – Temperature Daqu Baijiu through multi-channel visual array sensor of organic dyes combined with smart phone App.  FOOD CHEMISTRY,      [PMID:37979267] [10.1016/j.foodchem.2023.137980]

4. Nan He, Chunxiao Zhang, Kaiyang Hou, Hongxiao Yu, Donghai Zhang, Mengying Chen, Kaiqiang Zhang, Xu Wang.  (2023)  A comprehensive study on flavor/cyclodextrin inclusion complexes.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2023.132613]

5. Tian-Tian Ma, Cheng Yang, Hai-Long Qian, Piming Ma, Tianxi Liu, Xiu-Ping Yan.  (2023)  Trifluoromethyl-Functionalized 2D Covalent Organic Framework for High-Resolution Separation of Isomers.  ACS Applied Materials & Interfaces,      [PMID:37367939] [10.1021/acsami.3c05369]

6. Yaluan Bi, Xuan Zhang, Xuefei Chang, Jiaxin Li, Shan Xiao, Bo Zhang, Cong Dang, Linlin Sun, Hongwei Yao, Qi Fang, Fang Wang, Gongyin Ye.  (2023)  Olfactory behavioral responses of two Drosophila species and their pupal parasitoid to volatiles from bananas.  PEST MANAGEMENT SCIENCE,  79  (11): (4309-4318).  [PMID:37357260] [10.1002/ps.7628]

7. 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]

8. Kaixiong Peng, Qunyong Tang, Yuhan Zheng, Fang Ji, Xiaoming Chen.  (2023)  Analysis of volatile components in different broken rice by HS-SPME/GC-TOFMS.  FLAVOUR AND FRAGRANCE JOURNAL,  38  (3): (204-216).  [PMID:] [10.1002/ffj.3733]

9. Xiuzhen Xu, Weiqin Feng, Lijun Guo, Xin Huang, Bi Shi.  (2023)  Controlled synthesis of distiller's grains biochar for turbidity removal in Baijiu.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:36621480] [10.1016/j.scitotenv.2022.161382]

10. Xiaojing Zhang, Pei Gao, Wenshui Xia, Qixing Jiang, Shaoquan Liu, Yanshun Xu.  (2022)  Characterization of key aroma compounds in low-salt fermented sour fish by gas chromatography-mass spectrometry, odor activity values, aroma recombination and omission experiments.  FOOD CHEMISTRY,      [PMID:35908468] [10.1016/j.foodchem.2022.133773]

11. Xiong Zheng, Yanqiong Bao, Guangzhao Qin, Yu Liu.  (2022)  Experimental measurement and prediction of thermal conductivity of fatty acid ethyl esters: ethyl butyrate and ethyl caproate.  FLUID PHASE EQUILIBRIA,      [PMID:] [10.1016/j.fluid.2022.113507]

12. Yujiao Cheng, Guijie Li, Houjiu Wu, Linhua Huang, Hua Wang.  (2021)  Identification of Light-Induced Key Off-Flavors in Ponkan Mandarin Juice Using MDGC-MS/O and GC–MS/PFPD.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34784211] [10.1021/acs.jafc.1c05465]

13. 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).  [PMID:33666762] [10.1186/s13568-021-01198-5]

14. Weican Wang, Ling Li, Xiaoda Wang, Ting Qiu, Jianhao Yang, Changshen Ye.  (2021)  Reaction kinetic studies on the immobilized-lipase catalyzed enzymatic resolution of 1-phenylethanol transesterification with ethyl butyrate.  BIOCATALYSIS AND BIOTRANSFORMATION,      [PMID:] [10.1080/10242422.2020.1855150]

15. Jinhao Zhao, Zhongyan Wang, Zhongshan Li, Jiayu Shi, Ling Meng, Guorong Wang, Jingli Cheng, Yongjun Du.  (2020)  Development of lady beetle attractants from floral volatiles and other semiochemicals for the biological control of aphids.  JOURNAL OF ASIA-PACIFIC ENTOMOLOGY,      [PMID:] [10.1016/j.aspen.2020.08.005]

16. Peifei Wang, Songbai Liu.  (2020)  Development of a Gemini Interfacial Antioxidant for Oil in Water Emulsion with Gallic Acid and Dodecyl Gemini Chains.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:32816466] [10.1021/acs.jafc.0c00807]

17. Xiaoda Wang, Lumin Han, Weican Wang, Ling Li, Ting Qiu.  (2020)  Binary Isobaric Vapor–Liquid Equilibrium for the System of 1-Phenylethanol + Ethyl Butyrate + Ethanol +1-Phenylethyl Butyrate at 101.3 kPa.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.9b01191]

18. Yanrui Ma, Qingbo Deng, Yongjing Du, Jinying Ren, Yefu Chen, Xiaohang Liu, Xuewu Guo, Dongguang Xiao.  (2020)  Biosynthetic Pathway for Ethyl Butyrate Production in Saccharomyces cerevisiae.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:32186186] [10.1021/acs.jafc.0c00750]

19. Lin Zhu, Xinlei Wang, Xuebo Song, Fuping Zheng, Hehe Li, Feng Chen, Yuhang Zhang, Fuyan Zhang.  (2019)  Evolution of the key odorants and aroma profiles in traditional Laowuzeng baijiu during its one-year ageing.  FOOD CHEMISTRY,      [PMID:31816535] [10.1016/j.foodchem.2019.125898]

20. Shanshan Wang, Jiawen Fan, Lujing Xu, Kai Ye, Tong Shu, Songbai Liu.  (2019)  Enhancement of Antioxidant Activity in O/W Emulsion and Cholesterol-Reducing Capacity of Epigallocatechin by Derivatization with Representative Phytosterols.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:31613618] [10.1021/acs.jafc.9b04382]

21. Yuping Shen, Man Wang, Jinwei Zhou, Yufei Chen, Lili Xu, Mengru Wu, Guohua Xia, James P. Tam, Jiangnan Yu, Xiying Teng, Huan Yang, Xiaobin Jia.  (2019)  Eco-efficient biphasic enzymatic hydrolysis for the green production of rare baohuoside I.  ENZYME AND MICROBIAL TECHNOLOGY,      [PMID:31615677] [10.1016/j.enzmictec.2019.109431]

22. Fenhong Song, Dapeng Ju, Jing Fan, Xiaopo Wang, Gang Wang.  (2019)  Measurement of the thermal conductivity of five aliphatic esters in the liquid phase.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2019.06.014]

23. Jun-Jie Hou, Jian Guo, Jin-Mei Wang, Xiao-Quan Yang.  (2016)  Effect of interfacial composition and crumbliness on aroma release in soy protein/sugar beet pectin mixed emulsion gels.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  96  (13): (4449-4456).  [PMID:26841309] [10.1002/jsfa.7656]

24. Yao Feng, Yi Bin, Shen Caihong, Tao Fei, Liu Yumin, Lin Zhixin, Xu Ping.  (2015)  Chemical Analysis of the Chinese Liquor Luzhoulaojiao by Comprehensive Two-Dimensional Gas Chromatography/Time-of-Flight Mass Spectrometry.  Scientific Reports,  5  (1): (1-6).  [PMID:25857434] [10.1038/srep09553]

25. Yunzi Feng, Guowan Su, Haifeng Zhao, Yu Cai, Chun Cui, Dongxiao Sun-Waterhouse, Mouming Zhao.  (2014)  Characterisation of aroma profiles of commercial soy sauce by odour activity value and omission test.  FOOD CHEMISTRY,      [PMID:25148982] [10.1016/j.foodchem.2014.06.057]

26. Yunzi Feng, Yu Cai, Guowan Su, Haifeng Zhao, Chenxia Wang, Mouming Zhao.  (2013)  Evaluation of aroma differences between high-salt liquid-state fermentation and low-salt solid-state fermentation soy sauces from China.  FOOD CHEMISTRY,      [PMID:24128458] [10.1016/j.foodchem.2013.07.072]

27. Li Hongling, Zhu Rongjiao, Xu Wei, Li Yanfen, Su Yongju, Tian Yiling.  (2011)  Vapor−Liquid Equilibrium Data of the Carbon Dioxide + Ethyl Butyrate and Carbon Dioxide + Propylene Carbonate Systems at Pressures from (1.00 to 13.00) MPa and Temperatures from (313.0 to 373.0) K.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/je101086r]

28. Sijie Zhang, Hao Wang, Yunlong Meng, Mijia Li, Yang Li, Xinhao Ye, Shiyi Duan, Shimei Xiao, Huiqiang Lu, Keyuan Zhong.  (2024)  Ethyl butyrate inhibits caudal fin regeneration in adult zebrafish by disrupting extracellular matrix remodeling.  AQUATIC TOXICOLOGY,      [PMID:39366190] [10.1016/j.aquatox.2024.107111]

29. Haoran Pei, Gang Xie, Xiang Yao, Shenghui Wang, Jin Yan, Liangying Dai, Yunsheng Wang.  (2024)  Exploring the binding affinity and characteristics of DcitOBP9 in citrus psyllids.  GENE,      [PMID:38759737] [10.1016/j.gene.2024.148551]

30. Siru He, Huimin Yuan, Peide Zhu, Xingzhu Wang, Baomin Xu.  (2024)  Fluorinated co-solvent electrolytes enable lithium metal batteries to operate at low temperatures.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.156302]

31. Wei Qiu, Hailong Ru, Jilei Wang, Jingming Kuang, Yougui Yu, Qing Zheng.  (2025)  Odor threshold dynamics during Baijiu aging: Ester–acid interactions.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.117436]

32. Dehao Meng, Dongbo Zhao, Zhichao Zhao, Xiaoxue Wang, Yi Wu, Yonghui Li, Zhaolin Lv, Qilin Zhong.  (2025)  Revealing key aroma compounds and the potential metabolic pathways in sea buckthorn berries.  FOOD CHEMISTRY,      [PMID:39986073] [10.1016/j.foodchem.2025.143430]

33. Jialing Lu, Jia Zheng, Dong Zhao, Yan Xu, Shuang Chen.  (2025)  The Effect of Ethanol on the Compound Thresholds and Aroma Perception in Chinese Baijiu.  MOLECULES,  30  (4): (933).  [PMID:40005243] [10.3390/molecules30040933]

34. Ruirui Li, Dongyue Yang, Zhiyu Li, Xiaohong Tang, Ke Zhong, Yan Ding, Xiaomei Han, Xueqiang Guan, Yuxia Sun.  (2025)  The effect of stem contact fermentation on the quality of Cabernet Sauvignon and Merlot wines from Yantai, China.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2025.105872]

35. Tianyu Ma, Chunguang Wang, Xinyue Zhang, Yuxuan Zhu, Jiani Liu, Jian Sun, Baoqing Zhu, Dongqing Ye.  (2024)  Unveiling the aromatic diversity of Fermented mango juices through 40 plant-derived Lactiplantibacillus plantarum.  FOOD CHEMISTRY,      [PMID:39642420] [10.1016/j.foodchem.2024.142026]

36. Lingyun Xu, Hong yang Liu, Qi Song, Xiaohan Sun, Zhihao Zhao, Zhenya Ge, Yupeng Chen, Xiangyu Jiang, Lei Jiang.  (2025)  Solvated Ion Transport in Hierarchical Tremella-like Ionic Membranes for Low-Power and High-Sensitivity Ethanol Sensing.  Materials Horizons,      [PMID:40762305] [10.1039/D5MH01249J]

37. Xiayu Zhong, Shihong Cai, Limei Yu, Hao Dong, Qiaoyu Liu, Yuanhong Zhang, Xiaofang Zeng.  (2025)  Conformation Changes and Flavor Binding Capacity of Myofibrillar Proteins Upon Different Amounts of Sugar Additions: Relating to the Processing of Cantonese Sausage.  JOURNAL OF FOOD SCIENCE,  90  (7): (e70380).  [PMID:40635152] [10.1111/1750-3841.70380]

38. Yuanhong Zhang, Defeng Zeng, Shihong Cai, Qiaoyu Liu, Weizheng Sun, Xin Hu, Hui Peng, Hao Dong, Xiaofang Zeng.  (2025)  Effect of myofibrillar protein structure changes mediated by NaCl on the binding capacity of volatile compounds in Cantonese sausage.  FOOD CHEMISTRY,      [PMID:40816094] [10.1016/j.foodchem.2025.145921]

39. Yingying Hu, Iftikhar Hussain Badar, Dewei Huang, Bayierta Bayinbate, Baocai Xu, Lang Zhang.  (2025)  Elucidating the role of pH-induced structural alterations in myofibrillar proteins on their interaction with characteristic esters of dry fermented sausages.  FOOD CHEMISTRY,      [PMID:40850086] [10.1016/j.foodchem.2025.146025]

40. Jiacheng Li, Cong Li, Xueli Chen, Xianyan Liao, Hui Zhou, Baocai Xu, Li Zhang, Liming Jiang.  (2025)  Characteristic aroma changes during the sauce-flavoured black pork processing based on HS-SPME-GC-O-MS and aroma recombination/omission experiments of the final product.  FOOD RESEARCH INTERNATIONAL,      [PMID:41606840] [10.1016/j.foodres.2025.117225]

41. Jiawei Li, Cailin Qiao, Huan Liu, Dong Zhao, Jing Zhang, Laichun Lu, Danqun Huo, Changjun Hou.  (2023)  Fluorescence Nanoparticle Sensor Array Combined with Multidimensional Data Processing for the Determination of Small Organics and the Identification of Baijiu.  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2023.2183405]

42. Ting Zhou, Yunzi Feng, Thierry Thomas-Danguin, Mouming Zhao.  (2020)  Enhancement of saltiness perception by odorants selected from Chinese soy sauce: A gas chromatography/olfactometry-associated taste study.  FOOD CHEMISTRY,      [PMID:32739820] [10.1016/j.foodchem.2020.127664]

43. Caiyun Liu, Fujing Zheng, Huiying Li, Mario Prejanò, Guojie Jin, Yongsheng Tao, Yunkui Li.  (2025)  Thermodynamics and quantum mechanical insights into benzoic acid-acetate ester interactions for aroma modulation and controlled release in wine.  FOOD CHEMISTRY,      [PMID:40239575] [10.1016/j.foodchem.2025.144286]

44. Kaili He, Mouming Zhao, Xing Tong, Yunzi Feng.  (2025)  Reveal the flavor quality changes of soy sauce during shelf life through metabolomics.  FOOD CHEMISTRY,      [PMID:41443118] [10.1016/j.foodchem.2025.147650]

45. Yanjia Liu, Tingting Bai, Daohong Wu, Maojun Yao.  (2025)  Elucidating the aging mechanism of Fuyu-flavor Baijiu mediated by metal ions via GC–MS, spectroscopy, electrochemistry, and SEM-EDS.  FOOD CHEMISTRY,      [PMID:41435540] [10.1016/j.foodchem.2025.147641]

46. Qi Lu, Qiong Wang, Yi Wang, Peng Guo, De Yang, Shujing Xue.  (2025)  Dynamic changes in volatile profiles and non-volatile metabolites of postharvest Cara Cara oranges induced by gamma irradiation.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2025.113980]

47. Nian Cao, Yubo Yang, Xiaoling Xiong, Bohan Zhang, Ping Xiang, Fan Yang.  (2026)  Dynamic sensory mapping: how sip volume shapes sensory perception and drinking comfort of Jiangxiangxing Baijiu.  INTERNATIONAL JOURNAL OF FOOD PROPERTIES,      [PMID:] [10.1080/10942912.2026.2618833]