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

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

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

Synonyms

Tox21_303824 | 56IT408V5Y | FT-0606114 | UNII-56IT408V5Y | 4-01-00-03027 (Beilstein Handbook Reference) | EN300-19769 | MFCD00009246 | 3,5-Dioxaheptene | ETHYLAL [INCI] | 1,1-DIETHOXYMETHANE | Diethoxymethane, 99.7%, contains 50-150 ppm BHT as stabilizer

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

Tox21_303824 | 56IT408V5Y | FT-0606114 | UNII-56IT408V5Y | 4-01-00-03027 (Beilstein Handbook Reference) | EN300-19769 | MFCD00009246 | 3, 5-Dioxaheptene | ETHYLAL [INCI] | 1, 1-DIETHOXYMETHANE | Diethoxymethane, 99.7%, contains 50-150 ppm BHT as stabilizer

Specifications & Purity

anhydrous, ≥99%, stabilized with 100 ppm BHT

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

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

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
• Refractive Index: 1.372-1.374
• Flash Point(°F): 23 °F
• Flash Point(°C): -5℃
• Boil Point(°C): 87.5°C
• Melt Point(°C): -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

References

1. Xiaoqing Lu, Haolin Wang, Jiafu Chen, Lanlan Yang, Tianzhao Hu, Feng Wu, Jianwei Fu, Zhimin Chen.  (2021)  Negatively charged hollow crosslinked aromatic polymer fiber membrane for high-efficiency removal of cationic dyes in wastewater.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.133650]

2. Qingsong Li, Hongyue Guo, Song Lin, Yicong Zhao, Hui Li.  (2021)  Ternary (liquid + liquid) equilibrium experiment and thermodynamic modeling for extraction of diethoxymethane from water with different solvents at 303.2 K under 101.3 kPa.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2021.116793]

3. Qingsong Li, Wenyang Fan, Houchun Yan, Xin Huang, Lili Zhang, Zhanhua Ma.  (2019)  Experimental determination and modeling of liquid-liquid equilibrium for water + diethoxymethane + methyl tert-butyl ether (or methyl isobutyl ketone) at 298.15, 308.15, and 318.15 K.  FLUID PHASE EQUILIBRIA,      [PMID:] [10.1016/j.fluid.2019.112353]

4. Chen Xiuling, Chen Guining, Xie Cong, Wu Lei, Liu Gongping, Li Nanwen, Jin Wanqin.  (2025)  Polyolefin reweaved ultra-micropore membrane for CO2 capture.  Nature Communications,  16  (1): (1-10).  [PMID:39747009] [10.1038/s41467-024-55540-z]

5. Shanshan Ruan, Wenyao Zhao, Junheng Liu, Chengcheng Ao.  (2025)  Combustion and emission characteristics of diesel engines fueled with diethoxymethane blends under varying load conditions.  Thermal Science and Engineering Progress,      [PMID:] [10.1016/j.tsep.2025.104189]

6. Chaoqiang Tan, Zeyu Shen, Shichao Zhang, Zhijun Wu, Shengnan He, Hongge Pan, Hao Cheng, Yingying Lu.  (2025)  Methylation Design on Weakly Solvating Ethers for Wide-Temperature Li–SPAN Battery.  ADVANCED FUNCTIONAL MATERIALS,  35  (44): (2509658).  [PMID:] [10.1002/adfm.202509658]

7. Junming Dai, Jianming Zhong, Jinpeng Luo, Yuxing Song, Fan Hu, Young Moo Lee, Yongbing Zhuang.  (2026)  Synergistic Hydrogen-Bonding and Covalent Crosslinking in Polybenzimidazole Membranes for Wide-Temperature Anhydrous Fuel Cells.  Advanced Science,      [PMID:41734259] [10.1002/advs.202522161]