Ethyl 2-Ethylbutyrate - ≥99%(GC) , CAS No.2983-38-2

CAS: 2983-38-2 Cat. No.: E156255 分子式: C₈H₁₆O₂ 分子量: 144.21 EC番号: 221-044-9

GRADE & PURITY ≥99%(GC)

Synonyms

AS-47906 | FT-0712203 | 333JTI7A2M | CP-19106-1 hydrochloride monohydrate | E-956(alitame anhydrous) | 2-Ethylbutyric Acid Ethyl Ester | 2-ethyl-butyric acid ethyl ester | Z425641124 | CHEBI:179937 | E0345 | MFCD00059396 | 9ZB2G5FF44 | SCHEMBL284647 | F16

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AS-47906 | FT-0712203 | 333JTI7A2M | CP-19106-1 hydrochloride monohydrate | E-956(alitame anhydrous) | 2-Ethylbutyric Acid Ethyl Ester | 2-ethyl-butyric acid ethyl ester | Z425641124 | CHEBI:179937 | E0345 | MFCD00059396 | 9ZB2G5FF44 | SCHEMBL284647 | F16

仕様と純度

≥99%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥99%(GC)

名前と識別子

パブケム・シド

488185248

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488185248

カノニカル・スマイル

CCC(CC)C(=O)OCC

IUPAC Name

ethyl 2-ethylbutanoate

InChIKey

MJGSLNIPTRPYJV-UHFFFAOYSA-N

INCHI

1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3

異性体SMILES

CCC(CC)C(=O)OCC

分子量

144.21

Reaxy-Rn

1750661

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750661&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: 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

• 屈折率: 1.4
• 引火点（°C）: 39 °C
• 沸点（°C）: 152 °C
• 融点（°C）: 149-152℃
• 分子量: 144.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.400
• 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, 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.

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 2983-38-2, the molecular formula is C8H16O2, and the molecular weight is 144.21 g/mol. InChIKey MJGSLNIPTRPYJV-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.