Ethyloleate - for synthesis, mixture of esters, stabilised , CAS No.85049-36-1

CAS: 85049-36-1 Cat. No.: E462918 Formula: C₂₀H₃₈O₂ Peso molecolare: 310.5 Numero EC: 285-206-0

GRADE & PURITY for Synthesis, mixture of esters, stabilised

Synonyms

AI3-00657 | 2-Allyloxymethyl-oxirane | DTXCID1027633 | Ethyl cis-9-octadecenoate | ETHYL OLEATE [FCC] | s5367 | EN300-1724742 | NSC229428 | NSC-229428 | CHEBI:84940 | ETHYL OLEATE [FHFI] | UNII-Z2Z439864Y | Z2Z439864Y | Ethyl (9Z)-9-octadecenoate # | Ethy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AI3-00657 | 2-Allyloxymethyl-oxirane | DTXCID1027633 | Ethyl cis-9-octadecenoate | ETHYL OLEATE [FCC] | s5367 | EN300-1724742 | NSC229428 | NSC-229428 | CHEBI:84940 | ETHYL OLEATE [FHFI] | UNII-Z2Z439864Y | Z2Z439864Y | Ethyl (9Z)-9-octadecenoate # | Ethy

Specifiche e purezza

for synthesis, mixture of esters, stabilised

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

per la sintesi

Nomi e identificatori

• Sorrisi canonici: CCCCCCCCC=CCCCCCCCC(=O)OCC
• IUPAC Name: ethyl (Z)-octadec-9-enoate
• InChIKey: LVGKNOAMLMIIKO-QXMHVHEDSA-N
• INCHI: 1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
• Isomeri SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC
• Peso molecolare: 310.5
• Reaxy-Rn: 1727317
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727317&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Descrizione: 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: long-chain 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 168℃/1.3hPa
• Punto di fusione (°C): flash point 168.5℃
• Peso molecolare: 310.500 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 310.287 Da
• Monoisotopic Mass: 310.287 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 258.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Riferimenti

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20. Zeqing Liu, Ziteng Su, Lingmei Dai, Dehua Liu, Wei Du.  (2025)  Lipase-mediated human milk fat substitute production: Mechanistic insights and a rational synthesis strategy.  FOOD RESEARCH INTERNATIONAL,      [PMID:39967080] [10.1016/j.foodres.2025.115795]

21. Zi-Lin Li, Guo-Xing Deng, Chuan-Zhou Fang, Yue-Qi Zhao, Jing Yuan, Liang Chen, Hai-Jun Zhong, Feng Guo.  (2025)  Solid Self-Microemulsifying Drug Delivery System for Improved Oral Bioavailability of Relugolix: Preparation and Evaluation.  International Journal of Nanomedicine,      [PMID:39886543] [10.2147/IJN.S497099]

22. Gu Zhengqing, Xue Yuanyuan, Li Shuang, Adu-Frimpong Michael, Xu Ying, Yu Jiangnan, Xu Ximing, Zhu Yuan.  (2022)  Design, Characterization, and Evaluation of Diosmetin-Loaded Solid Self-microemulsifying Drug Delivery System Prepared by Electrospray for Improved Bioavailability.  AAPS PHARMSCITECH,  23  (4): (1-16).  [PMID:35381887] [10.1208/s12249-022-02263-3]

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Domande frequenti

What does for synthesis mean?

for synthesis indicates that the material has been processed and tested for specialty industrial processing. Specifications focus on the impurities that affect performance in that application — for example, metal content for electronics, particle size for batteries, refractive index for optics, or moisture content for moisture-sensitive processes.

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 85049-36-1, the molecular formula is C20H38O2, and the molecular weight is 310.5 g/mol. InChIKey LVGKNOAMLMIIKO-QXMHVHEDSA-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.