2,5-Diacetoxyhexane - ≥98%(GC) , CAS No.10299-35-1

CAS: 10299-35-1 Cat. No.: D154221 分子式: C₁₀H₁₈O₄ 分子量: 202.25 Beilstein Registry Number: 2(4)228

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD09038521 | NCIOpen2_004456 | NSC78970 | NSC-78970 | 5-acetyloxyhexan-2-yl acetate | AKOS025293987 | hexane-2,5-diyl diacetate | D3496 | D90193 | SCHEMBL10793944 | 2,5-Hexanediol Diacetate | DTXSID80291898 | 2,5-Diacetoxyhexane

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

MFCD09038521 | NCIOpen2_004456 | NSC78970 | NSC-78970 | 5-acetyloxyhexan-2-yl acetate | AKOS025293987 | hexane-2,5-diyl diacetate | D3496 | D90193 | SCHEMBL10793944 | 2,5-Hexanediol Diacetate | DTXSID80291898 | 2,5-Diacetoxyhexane

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• カノニカル・スマイル: CC(CCC(C)OC(=O)C)OC(=O)C
• IUPAC Name: 5-acetyloxyhexan-2-yl acetate
• InChIKey: UNAGYNUYXVBAEI-UHFFFAOYSA-N
• INCHI: 1S/C10H18O4/c1-7(13-9(3)11)5-6-8(2)14-10(4)12/h7-8H,5-6H2,1-4H3
• 異性体SMILES: CC(CCC(C)OC(=O)C)OC(=O)C
• 分子量: 202.25
• Beilstein: 2(4)228
• Reaxy-Rn: 1725055
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725055&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid ester - 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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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: 1.42
• 引火点（°C）: 116 °C
• 沸点（°C）: 122°C/18mmHg(lit.)
• 分子量: 202.250 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 202.121 Da
• Monoisotopic Mass: 202.121 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 178.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• 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 ≥98% 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 10299-35-1, the molecular formula is C10H18O4, and the molecular weight is 202.25 g/mol. InChIKey UNAGYNUYXVBAEI-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.