Ethyl palmitate - Standard for GC, ≥99%(GC) , CAS No.628-97-7

CAS: 628-97-7 Cat. No.: E103506 分子式: C₁₈H₃₆O₂ 分子量: 284.48 Beilstein Registry Number: 1782663 EC番号: 211-064-6

GRADE & PURITY Standard for GC, ≥99%(GC)

Synonyms

AC-35085 | Hexadecanoic acid,ethyl ester | Ethyl palmitate, United States Pharmacopeia (USP) Reference Standard | NSC8918 | NSC-8918 | Tox21_302505 | Ethyl palmitate, analytical standard | HY-N2086 | AI3-06331 | MFCD00008996 | SCHEMBL120620 | DTXCID002751

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AC-35085 | Hexadecanoic acid,ethyl ester | Ethyl palmitate, United States Pharmacopeia (USP) Reference Standard | NSC8918 | NSC-8918 | Tox21_302505 | Ethyl palmitate, analytical standard | HY-N2086 | AI3-06331 | MFCD00008996 | SCHEMBL120620 | DTXCID002751

仕様と純度

Standard for GC, ≥99%(GC)

保管条件

Room temperature

入荷

Normal

等級

Standard for GC

純度

≥99%(GC)

名前と識別子

• パブケム・シド: 504752313
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752313
• カノニカル・スマイル: CCCCCCCCCCCCCCCC(=O)OCC
• IUPAC Name: ethyl hexadecanoate
• InChIKey: XIRNKXNNONJFQO-UHFFFAOYSA-N
• INCHI: 1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
• 異性体SMILES: CCCCCCCCCCCCCCCC(=O)OCC
• WGKドイツ: 3
• 分子量: 284.48
• Beilstein: 1782663
• Reaxy-Rn: 1782663
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1782663&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: Wax monoesters

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

化学的性質と物理的性質

• 融点（°C）: 23 °C
• 屈折率: 1.4347
• 引火点（°F）: >235.4 °F
• 引火点（°C）: >113 °C
• 沸点（°C）: 192-193°C
• 融点（°C）: 24°C
• 分子量: 284.500 g/mol
• XLogP3: 7.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 284.272 Da
• Monoisotopic Mass: 284.272 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 202.000
• 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. Wang Zhongze, Shi Haonan, Shu Sihao, Zhang Xing, Feng Shangzhen, Chen Jixiang.  (2023)  Metal–organic framework-derived carbon coated Ni–In intermetallic compounds for in-situ selective hydrogenation of methyl palmitate to hexadecanol in aqueous phase using methanol as hydrogen donor.  Reaction Kinetics Mechanisms and Catalysis,  136  (4): (2021-2037).  [PMID:] [10.1007/s11144-023-02435-7]

2. Sihao Shu, Zhongze Wang, Xing Zhang, Haonan Shi, Shangzhen Feng, Jixiang Chen.  (2023)  Efficient deoxygenation of methyl esters to hydrocarbons on Al2O3 supported Ni-Sn intermetallic compounds.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2023.113056]

3. 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).  [PMID:] [10.3390/agronomy13020339]

4. 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]

5. 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]

6. Shen Shicai, Ma Guangzong, Xu Gaofeng, Li Diyu, Jin Guimei, Yang Shaosong, Clements David Roy, Chen Aidong, Wen Lina, Zhang Fudou, Ye Min.  (2022)  Allelochemicals Identified From Sweet Potato (Ipomoea batatas) and Their Allelopathic Effects on Invasive Alien Plants.  Frontiers in Plant Science,      [PMID:35498714] [10.3389/fpls.2022.823947]

7. Gu Xiaoyu, Shi Haonan, Wang Dandan, Chen Jixiang.  (2022)  Glucose-derived carbon-coated Ni–In intermetallic compounds for in situ aqueous phase selective hydrogenation of methyl palmitate to hexadecanol.  Reaction Kinetics Mechanisms and Catalysis,  135  (3): (1621-1634).  [PMID:] [10.1007/s11144-022-02221-x]

8. 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]

9. 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).  [PMID:27464006] [10.1111/1750-3841.13396]

10. Qisi Lin, Ling Zhang, Dongzhi Yang, Zhao Chunjie.  (2014)  Contribution of Phenolics and Essential Oils to the Antioxidant and Antimicrobial Properties of Disporopsis pernyi (Hua) Diels.  JOURNAL OF MEDICINAL FOOD,  17  (6): (714-722).  [PMID:24797793] [10.1089/jmf.2013.2905]

11. Guannan Chen, Jieqiong Song, Yue Zhou, Yuanyuan Wu, Chenghang Yang, Yingqin Wang, Ming Zhong.  (2024)  Ethyl palmitate ameliorates lethal endotoxemia by inducing hepatic fetuin-A secretion: an in vivo and in vitro experiment.  Journal of Thoracic Disease,  16  (9): (6024).  [PMID:39444871] [10.21037/jtd-24-1098]

12. Lin Yuan, Yunjie Li, Liuyan Zheng, Yifan Qin, Xin Zhang, Lijuan Ma, Huan Zhang, Liping Du.  (2025)  Impact of organic acids on aroma release in light-flavor Baijiu: A focus on key aroma-active compounds.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2025.106071]

13. Lin Zhang, Yi Zhang, Jun Huang, Rongqing Zhou, Chongde Wu.  (2025)  Temperature-driven functional microbial interactions in soy sauce fermentation: Effects of Zygosaccharomyces rouxii and Wickerhamiella versatilis on flavor enrichment and biogenic amine reduction.  INTERNATIONAL JOURNAL OF FOOD MICROBIOLOGY,      [PMID:40848630] [10.1016/j.ijfoodmicro.2025.111399]

14. 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]

15. Baoqing Bai, Shijie Niu, Junnan Li, Bin Feng, Tao Bo, Jinhua Zhang, Ying Zhang, Yukun Yang.  (2026)  Effects of fermentation with different coarse cereals on antioxidant capacity, flavor profiles and sensory characteristics of Huangjiu.  JOURNAL OF CEREAL SCIENCE,      [PMID:] [10.1016/j.jcs.2026.104389]

16. 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]

よくある質問

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

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

What does Standard for GC mean?

Standard for GC indicates that the chemical has been purified and tested specifically for use in gas chromatography. Key specifications typically include controlled UV absorbance at common detection wavelengths, low non-volatile residue, controlled moisture content, and verified lot-to-lot consistency. Standard for GC is used for mobile phases, sample preparation and analytical standards in this workflow.

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 628-97-7, the molecular formula is C18H36O2, and the molecular weight is 284.48 g/mol. InChIKey XIRNKXNNONJFQO-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.