Ethyl 2,2,2-triethoxyacetate - ≥95% , CAS No.57267-03-5

CAS: 57267-03-5 Cat. No.: E194004 分子式: C₁₀H₂₀O₅ 分子量: 220.26 EC番号: 832-533-7

GRADE & PURITY ≥95%

Synonyms

SCHEMBL788715 | AB05997 | A869730 | triethoxyacetic acid ethyl ester | Triethoxy-acetic acid ethyl ester | AKOS003594453 | ACETIC ACID, TRIETHOXY-, ETHYL ESTER | J-520661 | FT-0707620 | MFCD00449653 | AM20100402 | 2,2,2-triethoxyacetic acid ethyl ester |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

同義語

SCHEMBL788715 | AB05997 | A869730 | triethoxyacetic acid ethyl ester | Triethoxy-acetic acid ethyl ester | AKOS003594453 | ACETIC ACID, TRIETHOXY-, ETHYL ESTER | J-520661 | FT-0707620 | MFCD00449653 | AM20100402 | 2,2,2-triethoxyacetic acid ethyl ester |

仕様と純度

≥95%

保管条件

Store at 2-8°C,Desiccated

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• カノニカル・スマイル: CCOC(=O)C(OCC)(OCC)OCC
• IUPAC Name: ethyl 2,2,2-triethoxyacetate
• InChIKey: JWQIAVCJLYNXLJ-UHFFFAOYSA-N
• INCHI: 1S/C10H20O5/c1-5-12-9(11)10(13-6-2,14-7-3)15-8-4/h5-8H2,1-4H3
• 異性体SMILES: CCOC(=O)C(OCC)(OCC)OCC
• 分子量: 220.26
• Reaxy-Rn: 1211154
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1211154&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Ortho esters

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Ortho esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho esters
• Alternative Parents: Carboxylic acid orthoesters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ortho ester - Carboxylic acid orthoester - Orthocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as ortho esters. These are compounds having the general structure RC(OR')3 ( R' not H), or the structure C(OR')4 ( R' not H).
• 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

化学的性質と物理的性質

• 分子量: 220.260 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 220.131 Da
• Monoisotopic Mass: 220.131 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 164.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 57267-03-5, the molecular formula is C10H20O5, and the molecular weight is 220.26 g/mol. InChIKey JWQIAVCJLYNXLJ-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.