Ethanol, 2-[(1,1-dimethylethyl)dioxy]-

Base Information

• Chemical Name: Ethanol, 2-[(1,1-dimethylethyl)dioxy]-
• CAS No.: 15476-85-4
• Deprecated CAS: 26870-20-2
• Molecular Formula: C6H14O3
• Molecular Weight: 134.175
• Hs Code.: 2909600000
• European Community (EC) Number: 239-498-1
• DSSTox Substance ID: DTXSID6065896
• Nikkaji Number: J317.930C
• Wikidata: Q81992493
• Mol file: 15476-85-4.mol

Synonyms:2-tert-butylperoxyethanol;15476-85-4;Ethanol, 2-[(1,1-dimethylethyl)dioxy]-;tert-Butyl 2-hydroxyethyl peroxide;ETHANOL,2-[(1,1-DIMETHYLETHYL)DIOXY]-;EINECS 239-498-1;Ethanol, 2-((1,1-dimethylethyl)dioxy)-;2-((1,1-Dimethylethyl)dioxy)ethanol;2-[(1,1-DIMETHYLETHYL)DIOXY]ETHANOL;2-t-butylperoxyethanol;SCHEMBL3236579;DTXSID6065896;2-(TERT-BUTYLPEROXY)ETHANOL

Chemical Property of Ethanol, 2-[(1,1-dimethylethyl)dioxy]-

Chemical Property:

• Vapor Pressure: 1.17mmHg at 25°C
• Refractive Index: 1.419
• Boiling Point: 154.4 °C at 760 mmHg
• PKA: 14.44±0.10(Predicted)
• Flash Point: 47.2 °C
• PSA: 38.69000
• Density: 0.973 g/cm³
• LogP: 0.72540
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 134.094294304
• Heavy Atom Count: 9
• Complexity: 65.2

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OOCCO

Technology Process of Ethanol, 2-[(1,1-dimethylethyl)dioxy]-

There total 11 articles about Ethanol, 2-[(1,1-dimethylethyl)dioxy]- 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: 61.0%

oxirane (75-21-8,99932-75-9) + tert.-butylhydroperoxide (75-91-2) → t-butyl 2-hydroxyethyl peroxide (15476-85-4)

Guidance literature:

With aluminum oxide; In diethyl ether; for 2h;

DOI:10.1055/s-1983-30440

Reference yield:

2-(t-Butyldioxy)-ethyl-chloroformat (27944-70-3) → t-butyl 2-hydroxyethyl peroxide (15476-85-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH, H₂O₂

2: propan-2-ol / Heating

With sodium hydroxide; dihydrogen peroxide; In isopropyl alcohol;

Reference yield:

μ-peroxo-dicarbonic acid bis-[2-(tert-butylperoxy)-ethyl] ester (25984-54-7) → t-butyl 2-hydroxyethyl peroxide (15476-85-4)

Guidance literature:

In isopropyl alcohol; Heating;

upstream raw materials:

oxirane

tert.-butylhydroperoxide

μ-peroxo-dicarbonic acid bis-[2-(tert-butylperoxy)-ethyl] ester

2-(tert-butylperoxy)ethyl acetate

Downstream raw materials:

phosphoric acid 2-tert-butylperoxy-ethyl ester dimethyl ester

oxirane

glycolic Acid

methane

Refernces

• 1、 Nosan, V. N.,Petrovskaya, G. A.,Pokhmurskaya, M. V.. "ALKALINE HYDROLYSIS OF THE ESTERS OF HYDROXYALKYL PEROXIDES". . p. 1318 - 1320. Retrieved 2007/10/02.
• 2、 Van-Chin-Syan, Yu. Ya.,Kachurina, N. S.,Petrovskaya, G. A.,Chuchmarev, S. K.. "Thermodynamic Properties of Certain Hydroperoxides". . p. 1751 - 1752. Retrieved 2007/10/02.