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

CAS: 10299-35-1 Cat. No.: D154221 Fórmula: C₁₀H₁₈O₄ Peso molecular: 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

Sinónimos

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

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Sorrisos canónicos: 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
• SMILES isoméricas: CC(CCC(C)OC(=O)C)OC(=O)C
• Peso molecular: 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
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.42
• Ponto de inflamação (°C): 116 °C
• Ponto de ebulição (°C): 122°C/18mmHg(lit.)
• Peso molecular: 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

Perguntas frequentes

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.