Ethyl Myristate - ≥98% , CAS No.124-06-1

CAS: 124-06-1 Cat. No.: E156068 Molecular Weight: 256.43 Beilstein Registry Number: 1776380 EC Number: 204-675-4

GRADE & PURITY ≥98%

Synonyms

SY033131 | ETHYL MYRISTATE [FHFI] | MYRISTIC ACID ETHYL ESTER [MI] | NCGC00257436-01 | NSC8917 | NSC-8917 | ETHYL MYRISTATE [FCC] | NSC 8917 | Ethyl myristate (natural) | Ethyl myristate, 99% (GC) | Ethyl myristate, >=98%, FCC, FG | UNII-6995S49749 | ETHY

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Ethyl tetradecanoate, which is an ester formed by the condensation of ethanol and myristic acid, is commonly used as a flavoring agent and fragrance in the food and cosmetic industries.

Specifications

Synonyms

SY033131 | ETHYL MYRISTATE [FHFI] | MYRISTIC ACID ETHYL ESTER [MI] | NCGC00257436-01 | NSC8917 | NSC-8917 | ETHYL MYRISTATE [FCC] | NSC 8917 | Ethyl myristate (natural) | Ethyl myristate, 99% (GC) | Ethyl myristate, >=98%, FCC, FG | UNII-6995S49749 | ETHY

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753456
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753456
• Canonical Smiles: CCCCCCCCCCCCCC(=O)OCC
• IUPAC Name: ethyl tetradecanoate
• InChIKey: MMKRHZKQPFCLLS-UHFFFAOYSA-N
• INCHI: 1S/C16H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)18-4-2/h3-15H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCCC(=O)OCC
• WGK Germany: 2
• Molecular Weight: 256.43
• Beilstein: 1776380
• Reaxy-Rn: 1776382
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1776382&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: 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

Associated Targets(non-human)

Micrococcus luteus (7463 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Not miscible or difficult to mix with water.
• Sensitivity: Sensitive to air
• Refractive Index: 1.44
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 167°C(lit.)
• Boil Point(°C): 309°C(lit.)
• Melt Point(°C): 12 °C
• Molecular Weight: 256.420 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 256.24 Da
• Monoisotopic Mass: 256.24 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 178.000
• 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

References

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2. Li Dan, Zheng Yingdi, Jin Yang, Li Yixin.  (2023)  Densities, Viscosities and Refractive Indices for Binary Mixtures of Diethyl Carbonate with Fatty Acid Ethyl Esters.  JOURNAL OF SOLUTION CHEMISTRY,  52  (9): (1048-1065).  [PMID:] [10.1007/s10953-023-01295-y]

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. Yuting Ye, Lixia Wang, Ping Zhan, Honglei Tian, Jianshu Liu.  (2021)  Characterization of the aroma compounds of Millet Huangjiu at different fermentation stages.  FOOD CHEMISTRY,      [PMID:34339922] [10.1016/j.foodchem.2021.130691]

5. 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]

6. Dan Li, Juan Wang, Yanan Gao, Xinyu Zhan, Mengyun Li, Yuxiang Wang.  (2019)  Density, Viscosity, and Refractive Index of Binary Mixtures of Fatty Acid Ethyl Esters with Ethylcyclohexane.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.9b00544]

7. Zhong-Sheng Tang, Xin-An Zeng, Margaret A. Brennan, Zhong Han, Debao Niu, Yujia Huo.  (2019)  Characterization of aroma profile and characteristic aromas during lychee wine fermentation.  JOURNAL OF FOOD PROCESSING AND PRESERVATION,  43  (8): (e14003).  [PMID:] [10.1111/jfpp.14003]

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. Li Dan, Zhang Xuena, Xin Chunling, Liu Meifang.  (2024)  Thermophysical and Excess Properties of Binary Mixtures of Dibutyl Ether and Components of Biodiesel.  JOURNAL OF SOLUTION CHEMISTRY,      [PMID:] [10.1007/s10953-024-01419-y]