1,2-Ethane-(2H4)diol

Base Information

• Chemical Name: 1,2-Ethane-(2H4)diol
• CAS No.: 2219-51-4
• Molecular Formula: C2H2 D4 O2
• Molecular Weight: 66.0367
• Hs Code.: 2905310000
• DSSTox Substance ID: DTXSID10944845
• Nikkaji Number: J2.968.135J
• Mol file: 2219-51-4.mol

Synonyms:1,1,3,3-tetradeuteriopropane-1,3-diol;1,2-Ethane-(2H4)diol;DTXSID10944845;EINECS 218-730-5;(1,1,3,3-~2~H_4_)Propane-1,3-diol

Chemical Property of 1,2-Ethane-(2H4)diol

Chemical Property:

• Vapor Pressure: 0.0959mmHg at 25°C
• Melting Point: -13 °C(lit.)
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 196-198 °C(lit.)
• Flash Point: 169.8°C
• PSA: 40.46000
• Density: 1.082g/cm³
• LogP: -1.02900
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Soluble), Methanol (Slightly)
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 80.077536477
• Heavy Atom Count: 5
• Complexity: 12.4

Purity/Quality:

99% ^*data from raw suppliers

Ethylene-d4 Glycol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 2

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CO)CO
• Isomeric SMILES: [2H]C([2H])(CC([2H])([2H])O)O
• Uses: Ethylene-d4 Glycol is the isotope labelled analog of Ethylene Glycol (E917520), an organic compound widely used as an automotive antifreeze and a precursor to polymers. Ethylene-d4 Glycol is the isotope labelled analog of Ethylene Glycol , an organic compound widely used as an automotive antifreeze and a precursor to polymers. Isotope labelled Ethylene Glycol (E890140), an organic compound widely used as an automotive antifreeze (1) and a precursor to labelled polymers (2) and polymer-grafted membranes (3). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.

Technology Process of 1,2-Ethane-(2H4)diol

There total 8 articles about 1,2-Ethane-(2H4)diol 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: 97.0%

C2(2)H4OC14H14O → [1,1,2,2-(2)H4]ethane-1,2-diol (2219-51-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate;

DOI:10.1021/jo701979z

Reference yield: 89.0%

ethylene glycol (107-21-1) → [1,1,2,2-(2)H4]ethane-1,2-diol (2219-51-4)

Guidance literature:

With 5% activated charcoal-supported ruthenium catalyst; hydrogen; water-d2; at 80 ℃; for 24h; under 760.051 Torr; regioselective reaction;

DOI:10.1002/adsc.200800407

Reference yield: 71.0%

oxalic acid diethyl ester (95-92-1) → [1,1,2,2-(2)H4]ethane-1,2-diol (2219-51-4)

Guidance literature:

With lithium aluminium deuteride; In tetrahydrofuran; for 3h; Reflux;

upstream raw materials:

2-benzyloxy<1,1,2,2-2H4>ethanol

oxalic acid diethyl ester

succinic acid diethyl ester

ethylene glycol

Downstream raw materials:

[²H₄]1,2-ethanediol-1,2-bis(p-toluenesulphonate)

1,2-dibromoethane-d4

2-benzyloxy<1,1,2,2-2H4>ethanol

C₁₈H₁₄O₇S₂⁽²⁾H₈C₂⁽²⁾H₄O

Refernces

• 1、 Lesot, Philippe,Merlet, Denis,Sarfati, Muriel,Courtieu, Jacques,Zimmermann, Herbert,Luz, Zeev. "Enantiomeric and enantiotopic analysis of cone-shaped compounds with C3 and C3v symmetry using NMR spectroscopy in chiral anisotropic solvents". . p. 10071 - 10082. Retrieved 2002.
• 2、 Han, Zhaobin,Rong, Liangce,Wu, Jiang,Zhang, Lei,Wang, Zheng,Ding, Kuiling. "Catalytic hydrogenation of cyclic carbonates: A practical approach from CO2 and epoxides to methanol and diols". supporting information. p. 13041 - 13045. Retrieved 2013/03/13.
• 3、 Panday, Dinesh,Kothari, Seema. "Kinetics and mechanism of the oxidation of diols by butyltriphenylphosphonium dichromate". body text. p. 918 - 925. Retrieved 2011/09/19.