Oxydimethanol

Base Information

• Chemical Name: Oxydimethanol
• CAS No.: 4407-89-0
• Molecular Formula: C2H6 O3
• Molecular Weight: 78.0678
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID00549787
• Nikkaji Number: J1.459.448E
• Wikidata: Q27452634
• Mol file: 4407-89-0.mol

Synonyms:Oxydimethanol;4407-89-0;hydroxymethyl ether;DTXSID00549787;Q27452634

Chemical Property of Oxydimethanol

Chemical Property:

• Vapor Pressure: 3344.17mmHg at 25°C
• Boiling Point: -9.2°C at 760 mmHg
• PKA: 12.49±0.10(Predicted)
• Flash Point: -51.762°C
• PSA: 49.69000
• Density: 1.241g/cm³
• LogP: -1.09740
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 78.031694049
• Heavy Atom Count: 5
• Complexity: 12.4

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(O)OCO

Technology Process of Oxydimethanol

There total 2 articles about Oxydimethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) → methanediol (463-57-0) + tetramethyleneglycol (28317-12-6) + dihydroxy dimethyl ether (4407-89-0) + trimethylene glycol (3754-41-4)

Guidance literature:

With water; Mechanism; with methanol;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) → methanediol (463-57-0) + tetramethyleneglycol (28317-12-6) + dihydroxy dimethyl ether (4407-89-0) + trimethylene glycol (3754-41-4) + Hydroxymethoxymethoxymethoxymethoxy-methanol (28317-13-7)

Guidance literature:

With water; Product distribution; 13C-NMR-study, also with 13C-labelled HCHO, also in addition of CH₃OH or C₂H₅OH;

Reference yield:

dihydroxy dimethyl ether (4407-89-0) → formaldehyd (50-00-0,30525-89-4,61233-19-0)

Guidance literature:

In water; at 29.9 ℃; Equilibrium constant;

DOI:10.1021/ac00254a041

upstream raw materials:

formaldehyd

Downstream raw materials:

formaldehyd

Refernces

• 1、 Narasimhan, S.,Balakrishnan, M.,Kumar, A. S.,Venkatasubramanian, N.. "Carbon-13 NMR Study of Reaction of Aqueous Formaldehyde with Amine Salts: Evidences for Reductive Methylation by Intramolecular Hydride Transfer". . p. 568 - 570. Retrieved 2007/10/02.