Hexanal Diethyl Acetal - ≥98%(GC) , CAS No.3658-93-3

CAS: 3658-93-3 Cat. No.: H157391 分子式: C₁₀H₂₂O₂ 分子量: 174.28 EC番号: 222-911-4

グレード＆純度 ≥98%(GC)

Synonyms

Hexyl Aldehyde Diethyl Acetal | hexanal diethyl acetal | LS-13913 | n-Hexanal diethyl acetal | Q63395625 | AKOS006241771 | HEXALDEHYDEDIETHYLACETAL | FT-0627028 | MFCD00129692 | D91031 | starbld0009599 | Hexanal, diethyl acetal | Aldehyde C-6 diethyl acet

Storage

Argon charged,Room temperature

Shipped In

Normal

仕様

同義語

Hexyl Aldehyde Diethyl Acetal | hexanal diethyl acetal | LS-13913 | n-Hexanal diethyl acetal | Q63395625 | AKOS006241771 | HEXALDEHYDEDIETHYLACETAL | FT-0627028 | MFCD00129692 | D91031 | starbld0009599 | Hexanal, diethyl acetal | Aldehyde C-6 diethyl acet

仕様と純度

≥98%(GC)

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

パブケム・シド

488185389

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488185389

カノニカル・スマイル

CCCCCC(OCC)OCC

IUPAC Name

1,1-diethoxyhexane

InChIKey

WNHOMUCDFNTSEV-UHFFFAOYSA-N

INCHI

1S/C10H22O2/c1-4-7-8-9-10(11-5-2)12-6-3/h10H,4-9H2,1-3H3

異性体SMILES

CCCCCC(OCC)OCC

分子量

174.28

Reaxy-Rn

1698917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetals
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' 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

• 感度: Moisture Sensitive
• 屈折率: 1.4060 to 1.4100
• 引火点（°C）: 44 °C
• 沸点（°C）: 90°C/30mmHg
• 分子量: 174.280 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 174.162 Da
• Monoisotopic Mass: 174.162 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 77.900
• 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 ≥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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 3658-93-3, the molecular formula is C10H22O2, and the molecular weight is 174.28 g/mol. InChIKey WNHOMUCDFNTSEV-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.