2,2-Diethoxypropane - ≥95%(GC) , CAS No.126-84-1

CAS: 126-84-1 Cat. No.: D155922 Formula: C₇H₁₆O₂ Molecular Weight: 132.2 EC Number: 204-808-6

GRADE & PURITY ≥95%(GC)

Synonyms

FT-0631738 | UNII-18I1QHH2K2 | Acetone, diethyl acetal | 2,2-Diethoxypropane, 97% | NSC528014 | NSC-528014 | 4-01-00-03200 (Beilstein Handbook Reference) | DIETHOXYPROPANE | FGQLGYBGTRHODR-UHFFFAOYSA- | EINECS 204-808-6 | SCHEMBL590700 | USAF DO-44 | Prop

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

FT-0631738 | UNII-18I1QHH2K2 | Acetone, diethyl acetal | 2,2-Diethoxypropane, 97% | NSC528014 | NSC-528014 | 4-01-00-03200 (Beilstein Handbook Reference) | DIETHOXYPROPANE | FGQLGYBGTRHODR-UHFFFAOYSA- | EINECS 204-808-6 | SCHEMBL590700 | USAF DO-44 | Prop

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

• Canonical Smiles: CCOC(C)(C)OCC
• IUPAC Name: 2,2-diethoxypropane
• InChIKey: FGQLGYBGTRHODR-UHFFFAOYSA-N
• INCHI: 1S/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3
• Isomeric SMILES: CCOC(C)(C)OCC
• WGK Germany: 3
• RTECS: AL4900000
• Molecular Weight: 132.2
• Reaxy-Rn: 741878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketal - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture & Heat & air Sensitive
• Refractive Index: 1.39
• Flash Point(°F): 46.4 °F
• Flash Point(°C): 8 °C
• Boil Point(°C): 113 °C
• Molecular Weight: 132.200 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 132.115 Da
• Monoisotopic Mass: 132.115 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 61.300
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% 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 126-84-1, the molecular formula is C7H16O2, and the molecular weight is 132.2 g/mol. InChIKey FGQLGYBGTRHODR-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.