1,1-Ethanediol

Base Information

• Chemical Name: 1,1-Ethanediol
• CAS No.: 4433-56-1
• Molecular Formula: C2H6 O2
• Molecular Weight: 62.0684
• Hs Code.: 2905399090
• DSSTox Substance ID: DTXSID90196143
• Nikkaji Number: J247.744K
• Wikidata: Q72471148
• Mol file: 4433-56-1.mol

Synonyms:1,1-ethanediol;acetaldehyde hydrate

Chemical Property of 1,1-Ethanediol

Chemical Property:

• Vapor Pressure: 1.86mmHg at 25°C
• Boiling Point: 146°Cat760mmHg
• PKA: 13.55±0.41(Predicted)
• Flash Point: 63°C
• PSA: 40.46000
• Density: 1.09g/cm³
• LogP: -0.68300
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 62.036779430
• Heavy Atom Count: 4
• Complexity: 11.5

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(O)O

Technology Process of 1,1-Ethanediol

There total 17 articles about 1,1-Ethanediol 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: 5.0%

ethanol (64-17-5) → glycolic Acid (79-14-1) + ethane-1,1-diol (4433-56-1) + carbon dioxide (124-38-9,18923-20-1) + ethylene glycol (107-21-1) + acetic acid (64-19-7,77671-22-8) + 2-chloro-ethanol (107-07-3)

Guidance literature:

With sodium hexachloroplatinate; Cl₄Pt*2Na⁽¹⁺⁾; at 120 ℃; for 3h; Product distribution; other alkyl and 13C labeled alcohols;

DOI:10.1021/ja00170a031

Reference yield:

ethanol (64-17-5) → ethane-1,1-diol (4433-56-1) + acetaldehyde (75-07-0,9002-91-9) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With water; at 70 ℃; for 8h; under 760.051 Torr; Temperature; Reagent/catalyst; Electrolysis;

DOI:10.1016/j.electacta.2016.07.062

Reference yield:

C46H33CoN4O12S4 → ethanol (64-17-5) + ethene (74-85-1) + ethane-1,1-diol (4433-56-1) + acetaldehyde (75-07-0,9002-91-9)

Guidance literature:

With oxygen; In aq. phosphate buffer; at 25 ℃; pH=7; Photolysis;

DOI:10.1002/ejic.201600208

upstream raw materials:

ethanol

C₂₃H₄₀N₇O₁₇P₃S

acetaldehyde

Glycolaldehyde

Downstream raw materials:

acetic acid

acetaldehyde

Refernces

• 1、 Bridoux, Maxime,Ceccarelli, Cecilia,Shalayel, Ibrahim,Vallée, Yannick,Vazart, Fanny,Youssef-Saliba, Sparta. "Cysteine Chemistry in Connection with Abiogenesis". supporting information. . Retrieved 2020/05/18.
• 2、 Ju, HyungKuk,Giddey, Sarbjit,Badwal, Sukhvinder P.S.,Mulder, Roger J.. "Electro-catalytic conversion of ethanol in solid electrolyte cells for distributed hydrogen generation". . p. 744 - 757. Retrieved 2016/07/22.