Diethoxy methane - anhydrous, ≥99%, stabilized with 100 ppm BHT , CAS No.462-95-3

CAS: 462-95-3 Cat. No.: D139939 Formula: C₅H₁₂O₂ Molecular Weight: 104.15 Beilstein Registry Number: 1697253 EC Number: 207-330-6

GRADE & PURITY Anhydrous Grade, ≥99%, stabilized with 100 ppm BHT

Synonyms

3,5-Dioxaheptene|ETHYLAL [INCI]|1,1-DIETHOXYMETHANE|1-(Ethoxymethoxy)ethane|3,5-Dioxaheptane|ethoxymethoxy-ethane|Methane, diethoxy-|Ethane, 1,1'-[methylenebis(oxy)]bis-|Ethoxymethyl ethyl ether|Formaldehyde diethyl acetal|formaldehyde diethylacetal|Ethane,1'-[methylenebis(oxy)]bis-|Formaldehyde, diethyl acetal|formaldehyde-diethylacetal|Ethane, 1,1'-(methylenebis(oxy))bis-|Ethylal|Diethoxymethane [UN2373] [Flammable liquid]|Methylene Glycol Diethyl Ether|Diethylformal|(ethoxymethoxy)ethane|Diethoxymethane|1-(Ethoxymethoxy)ethane #|Diethoxy methane

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Description：

Formaldehyde diethyl acetal (FDEA, diethoxymethane, DEM) is a diethyl acetal. It has been synthesized from ethanol and aqueous formaldehyde. It is a low boiling solvent useful for sodium hydride reactions, organolithium chemistry, copper-catalyzed conjugate additions and phase-transfer reactions. It is a potential alternate for tetrahydrofuran, dichloromethane, glyme and methylal. DEM is an ethoxymethylating agent, a formaldehyde equivalent and a carbonylation substrate. Its condensation with 2-propylresorcinol to form resorcin[n]arenes (n=4–7) has been investigated. The IR and Raman spectra and conformations of DEM have been studied. NMR spectroscopy has been used to study the aggregation behavior of organolithium compounds in diethoxymethane. Unimolecular metastable decomposition of DEM upon electron impact has been studied. Solubility of non-polar gases in DEM has been evaluated.

Specifications

Synonyms

3,5-Dioxaheptene | ETHYLAL [INCI] | 1,1-DIETHOXYMETHANE | 1-(Ethoxymethoxy)ethane | 3,5-Dioxaheptane | ethoxymethoxy-ethane | Methane, diethoxy- | Ethane, 1,1'-[methylenebis(oxy)]bis- | Ethoxymethyl ethyl ether | Formaldehyde diethyl acetal | formaldehyde diethylacetal | Ethane,1'-[methylenebis(oxy)]bis- | Formaldehyde, diethyl acetal | f Show more

Specifications & Purity

anhydrous, ≥99%, stabilized with 100 ppm BHT

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

Anhydrous Grade

Purity

≥99%

Names and Identifiers

Pubchem Sid

504751898

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751898

Canonical Smiles

CCOCOCC

IUPAC Name

ethoxymethoxyethane

InChIKey

KLKFAASOGCDTDT-UHFFFAOYSA-N

INCHI

1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3

Isomeric SMILES

CCOCOCC

WGK Germany

2

RTECS

PA8500000

UN Number

2373

Packing Group

II

Molecular Weight

104.15

Beilstein

1697253

Reaxy-Rn

1697253

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697253&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• x_refractive_index: 1.372-1.374
• x_flash_point_drop_fahrenheit: 23 °F
• x_flash_point_drop_centigrade: -5℃
• x_boil_point_char: 87.5°C
• x_melt_point_char: -66.5°C
• Molecular Weight: 104.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 104.084 Da
• Monoisotopic Mass: 104.084 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 25.300
• 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