2-Hydroxyethyl Acetate - ≥60%(GC) , CAS No.542-59-6

CAS: 542-59-6 Cat. No.: H156959 分子式: C₄H₈O₃ 分子量: 104.11 Beilstein Registry Number: 2(4)214 EC番号: 208-821-8

GRADE & PURITY ≥60%(GC)

Synonyms

1,2-Ethanediol, 1-acetate | 1,2-Ethanediol, monoacetate | Ethylene glycol monoacetate | 2-Acetoxyethanol | 2-Hydroxyethyl ester of acetic acid | Ethylenediol, monoacetate | Glycol monoacetate | 2-Hydroxyethyl acetate | 2-Hydroxyethyl acetate, AldrichCPR |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

1,2-Ethanediol, 1-acetate | 1,2-Ethanediol, monoacetate | Ethylene glycol monoacetate | 2-Acetoxyethanol | 2-Hydroxyethyl ester of acetic acid | Ethylenediol, monoacetate | Glycol monoacetate | 2-Hydroxyethyl acetate | 2-Hydroxyethyl acetate, AldrichCPR |

仕様と純度

≥60%(GC)

保管条件

Store at 2-8°C,Argon charged

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

≥60%(GC)

名前と識別子

• パブケム・シド: 488181235
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488181235
• カノニカル・スマイル: CC(=O)OCCO
• IUPAC Name: 2-hydroxyethyl acetate
• InChIKey: HXDLWJWIAHWIKI-UHFFFAOYSA-N
• INCHI: 1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3
• 異性体SMILES: CC(=O)OCCO
• RTECS: KW7175000
• 分子量: 104.11
• Beilstein: 2(4)214
• Reaxy-Rn: 1743114
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743114&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

• 溶解度: Soluble in water；Miscible with ethanol
• 感度: Moisture Sensitive,Heat Sensitive
• 屈折率: 1.42
• 引火点（°C）: 102°C(lit.)
• 沸点（°C）: 182°C(lit.)
• 分子量: 104.100 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 104.047 Da
• Monoisotopic Mass: 104.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 60.000
• 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, and how is it determined?

This product is supplied at ≥60% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 542-59-6, the molecular formula is C4H8O3, and the molecular weight is 104.11 g/mol. InChIKey HXDLWJWIAHWIKI-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.