1-(1-ethoxyethoxy)-2-methylpropane - Reagent grade , CAS No.6986-51-2

CAS: 6986-51-2 Cat. No.: E479377 分子式: C₈H₁₈O₂ 分子量: 146.23 EC番号: 230-251-3

GRADE & PURITY Reagent Grade

Synonyms

Propane,1-(1-ethoxyethoxy)-2-methyl- | Q27273914 | acetaldehyde ethyl isobutyl acetal | 1-ETHOXY-1-ISOBUTOXYETHANE, (+/-)- | Propane, 1-(1-ethoxyethoxy)-2-methyl- | SCHEMBL3505101 | ETHANE, 1-ETHOXY-1-ISOBUTOXY- | starbld0040989 | DTXSID90863969 | UNII-AG

Storage

Room temperature

Specifications

同義語

Propane,1-(1-ethoxyethoxy)-2-methyl- | Q27273914 | acetaldehyde ethyl isobutyl acetal | 1-ETHOXY-1-ISOBUTOXYETHANE, (+/-)- | Propane, 1-(1-ethoxyethoxy)-2-methyl- | SCHEMBL3505101 | ETHANE, 1-ETHOXY-1-ISOBUTOXY- | starbld0040989 | DTXSID90863969 | UNII-AG

仕様と純度

Reagent grade

保管条件

Room temperature

等級

Reagent Grade

名前と識別子

• カノニカル・スマイル: CCOC(C)OCC(C)C
• IUPAC Name: 1-(1-ethoxyethoxy)-2-methylpropane
• InChIKey: YEKSEJHZJGHKBN-UHFFFAOYSA-N
• INCHI: 1S/C8H18O2/c1-5-9-8(4)10-6-7(2)3/h7-8H,5-6H2,1-4H3
• 異性体SMILES: CCOC(C)OCC(C)C
• 分子量: 146.23
• Reaxy-Rn: 1734688
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734688&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

• 引火点（°F）: Not applicable
• 引火点（°C）: Not applicable
• 分子量: 146.230 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 146.131 Da
• Monoisotopic Mass: 146.131 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 71.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 does Reagent Grade mean?

Reagent Grade is a defined analytical purity tier suitable for general analytical and reagent applications. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. Reagent Grade is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

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.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6986-51-2, the molecular formula is C8H18O2, and the molecular weight is 146.23 g/mol. InChIKey YEKSEJHZJGHKBN-UHFFFAOYSA-N.