3,5-Dimethyl-1,2-dioxolane-3,5-diol

Base Information

• Chemical Name: 3,5-Dimethyl-1,2-dioxolane-3,5-diol
• CAS No.: 13784-51-5
• Deprecated CAS: 13784-51-5
• Molecular Formula: C5H10O4
• Molecular Weight: 134.132
• Hs Code.: 2932999099
• European Community (EC) Number: 237-438-9
• DSSTox Substance ID: DTXSID20275859
• Nikkaji Number: J280.306B
• Mol file: 13784-51-5.mol

Synonyms:3,5-Dimethyl-1,2-dioxolane-3,5-diol;13784-51-5;3,5-dimethyldioxolane-3,5-diol;EINECS 237-438-9;20566-41-0;Peroxycyclopentane, 3,5-dimethyl-3,5-dihydroxy-;3,5-Dimethyl-3,5-dihydroxy-1,2-peroxycyclopentane;SCHEMBL6422113;DTXSID20275859;LS-102472

Chemical Property of 3,5-Dimethyl-1,2-dioxolane-3,5-diol

Chemical Property:

• Vapor Pressure: 0.17mmHg at 25°C
• Boiling Point: 187.9oC at 760mmHg
• PKA: 12.74±0.40(Predicted)
• Flash Point: 67.5oC
• PSA: 58.92000
• Density: 1.319g/cm3
• LogP: -0.24470
• Water Solubility.: 500g/L at 25℃
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 134.05790880
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CC(OO1)(C)O)O

Technology Process of 3,5-Dimethyl-1,2-dioxolane-3,5-diol

There total 2 articles about 3,5-Dimethyl-1,2-dioxolane-3,5-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: 75.5%

acetylacetone (123-54-6,81235-32-7) → 3,5-dimethyl-[1,2]dioxolane-3,5-diol (13784-51-5,20566-41-0)

Guidance literature:

With sulfuric acid; dihydrogen peroxide; In water; at 5 - 85 ℃; for 0.0593333h; Flow reactor;

Reference yield:

→ 3,5-dimethyl-[1,2]dioxolane-3,5-diol (13784-51-5,20566-41-0)

Guidance literature:

Reference yield:

3,5-dimethyl-[1,2]dioxolane-3,5-diol (13784-51-5,20566-41-0) → dihydrogen peroxide (7722-84-1) + acetylacetone (123-54-6,81235-32-7)

Guidance literature:

In diethyl ether; at 25 ℃; Equilibrium constant;

DOI:10.1021/ja00885a022

upstream raw materials:

acetylacetone

Downstream raw materials:

dihydrogen peroxide

acetylacetone

Refernces