Ethyl Nonanoate - ≥95%(GC) , CAS No.123-29-5

CAS: 123-29-5 Cat. No.: E156541 分子式: C₁₁H₂₂O₂ 分子量: 186.3 Beilstein Registry Number: 1759170 EC番号: 204-615-7

GRADE & PURITY ≥95%(GC)

Synonyms

HY-129623 | Nonanoic acid, ethyl ester | AKOS009158148 | Ethyl nonylate; Ethyl pelargonate | FEMA No. 2447 | EINECS 204-615-7 | ETHYL NONANOATE | Ethyl nonylate | CAS-123-29-5 | ethylnonanoate | Ethyl nonanoate (natural) | Q9796963 | DTXSID1047651 | KSH6

Storage

Room temperature

Shipped In

Normal

概要

Ethyl nonanoate is separated and quantified from cachaca, rum and whisky by direct injection gas chromatography spectrometry[1]. It is used as the internal standard to monitor the solid-phase micro-extraction fibre extraction integrity and efficiency.

Specifications

同義語

HY-129623 | Nonanoic acid, ethyl ester | AKOS009158148 | Ethyl nonylate; Ethyl pelargonate | FEMA No. 2447 | EINECS 204-615-7 | ETHYL NONANOATE | Ethyl nonylate | CAS-123-29-5 | ethylnonanoate | Ethyl nonanoate (natural) | Q9796963 | DTXSID1047651 | KSH6

仕様と純度

≥95%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥95%(GC)

名前と識別子

• パブケム・シド: 488183149
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488183149
• カノニカル・スマイル: CCCCCCCCC(=O)OCC
• IUPAC Name: ethyl nonanoate
• InChIKey: BYEVBITUADOIGY-UHFFFAOYSA-N
• INCHI: 1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
• 異性体SMILES: CCCCCCCCC(=O)OCC
• WGKドイツ: 2
• RTECS: RA6845000
• 分子量: 186.3
• Beilstein: 1759170
• Reaxy-Rn: 1759169
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1759169&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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: fatty acid ethyl ester

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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.422
• 引火点（°F）: 201.2 °F
• 引火点（°C）: 104°C
• 沸点（°C）: 119 °C/23 mmHg
• 融点（°C）: -44 °C
• 分子量: 186.290 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 186.162 Da
• Monoisotopic Mass: 186.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 121.000
• 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

参考文献

1. Shaonan Du, Chenhui Zhang, Zhi Luo.  (2023)  Effect of the Molecular Structure of 1,3-Diketones on the Realization of Oil-Based Superlubricity on Steel/Steel Friction Pairs.  LANGMUIR,      [PMID:38134349] [10.1021/acs.langmuir.3c02988]

2. Taotao Zhan, Ying Zhang, Qi Zhou, Junshuai Chen, Xiaopo Wang, Xiangyang Liu, Maogang He.  (2019)  Speed of Sound and Derived Properties of Ethyl Nonanoate.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.9b00420]

3. Zhao Jiangbin, Agaba Aphra, Sui Xiaofeng, Mao Zhiping, Xu Hong, Zhong Yi, Zhang Linping, Wang Bijia.  (2018)  A heterogeneous binary solvent system for recyclable reactive dyeing of cotton fabrics.  CELLULOSE,  25  (12): (7381-7392).  [PMID:] [10.1007/s10570-018-2069-8]

4. Xiangyang Liu, Chenyang Zhu, Feng Yang, Chao Su, Maogang He.  (2018)  Experimental and correlational study of isobaric molar heat capacities of fatty acid esters: Ethyl nonanoate and ethyl dodecanoate.  FLUID PHASE EQUILIBRIA,      [PMID:] [10.1016/j.fluid.2018.09.017]

5. 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]

6. Zhonghui Zhang, Weizhen Ye, Chun Li, Haihong Zhou, Chao Wang, Penghui Liu, Binxin Zhou, Hanqing Zhao, Shouchuang Wang, Jun Yang.  (2024)  Volatilomics-Based Discovery of Key Volatiles Affecting Flavor Quality in Tomato.  Foods,  13  (6): (879).  [PMID:38540868] [10.3390/foods13060879]

7. Yan Yang, Siying Liu, Yan Wang, Qin Yang, Baoan Wang, Yuting Zhang, Zaikang Tong, Junhong Zhang.  (2025)  Antifungal mechanisms of Phoebe bournei wood essential oil against Botryosphaeria dothidea and its application in apples.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2025.113703]

8. Mei Chen, Fengyun Tian, Youshudi Xie, Jie Ma, Yanfen Yang, Changli Yang, Xinrong Zhou, Tian Deng, Houhong Xiao, Xue Dong, Dingli Chen, Xinlong Dai, Zhi zhou, Shimao Fang.  (2025)  A comprehensive study of carboxylesterases involved in the degradation of volatile esters in horticultural crops.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2025.122039]

9. Hongyu Chen, Ronggang Jiang, Huimin An, Hao Xu, Xingchang Ou, Kuofei Wang, Yuan Chen, Youcang Jiang, Shi Li, Jianan Huang, Zhonghua Liu.  (2026)  Characterization of key odor-active volatiles in jasmine green tea by sensomics and chemometrics.  Food Chemistry-X,      [PMID:41799623] [10.1016/j.fochx.2026.103695]

10. Pengfei Yang, Lingqi Kong, Qiongbo Wang, Qiang Liu, Xiujin Duan, Chen Hu, Zhengbo Feng, Qi Yang, Huabo Jv.  (2026)  Analysis of volatile compounds in Aglaia odorata flower extracts with different possessing methods by HS-SPME-GC-MS and E-nose.  Frontiers in Chemistry,      [PMID:41867951] [10.3389/fchem.2026.1746408]

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 123-29-5, the molecular formula is C11H22O2, and the molecular weight is 186.3 g/mol. InChIKey BYEVBITUADOIGY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.