tert-Butylperoxymethanol

Base Information

• Chemical Name: tert-Butylperoxymethanol
• CAS No.: 17742-78-8
• Molecular Formula: C5H12 O3
• Molecular Weight: 120.148
• Hs Code.: 2909600000
• UNII: QTW553V7UO
• DSSTox Substance ID: DTXSID70170305
• Nikkaji Number: J41.747E
• Wikidata: Q27287484
• Mol file: 17742-78-8.mol

Synonyms:tert-Butylperoxymethanol;((1,1-Dimethylethyl)dioxy)methanol;17742-78-8;(tert-Butyldioxy)methanol;Methanol, (tert-butyldioxy)-;tert-Butylhydroxymethyl peroxide;BRN 1697871;Hydroxymethyl tert-butylperoxide;QTW553V7UO;Methanol, ((1,1-dimethylethyl)dioxy)-;Methanol, [(1,1-dimethylethyl)dioxy]-;(tert-Butylperoxy)methanol;UNII-QTW553V7UO;SCHEMBL6913733;t-butyl hydroxy-methyl peroxide;BUTYLPEROXYMETHANOL, TERT-;DTXSID70170305;AKOS006279020;LS-91016;Q27287484

Chemical Property of tert-Butylperoxymethanol

Chemical Property:

• Vapor Pressure: 7.95mmHg at 25°C
• Boiling Point: 119°Cat760mmHg
• Flash Point: 25.8°C
• PSA: 38.69000
• Density: 0.99g/cm³
• LogP: 0.68290
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.078644241
• Heavy Atom Count: 8
• Complexity: 55.2

Purity/Quality:

(TERT-BUTYLPEROXY)METHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OOCO

Technology Process of tert-Butylperoxymethanol

There total 7 articles about tert-Butylperoxymethanol 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:

Isobutane (75-28-5,40921-86-6) + ozone (10028-15-6) → methanol (67-56-1) + hydroxymethyl tert-butyl peroxide (17742-78-8) + acetone (67-64-1) + tert-butyl alcohol (75-65-0)

Guidance literature:

at 125 - 225 ℃;

DOI:10.1021/ja01602a024

Reference yield:

tert.-butylhydroperoxide (75-91-2) + formaldehyd (50-00-0,30525-89-4,61233-19-0) → hydroxymethyl tert-butyl peroxide (17742-78-8)

Guidance literature:

DOI:10.1111/j.1939-165X.2002.tb00283.x

Reference yield:

tert-butylperoxymethyl acetate (19825-90-2) → hydroxymethyl tert-butyl peroxide (17742-78-8)

Guidance literature:

With alkali; In 1,4-dioxane; water; at 19.9 ℃; Kinetics; Thermodynamic data; ΔS(activ.), E(activ.), oth. temperature;

upstream raw materials:

tert.-butylhydroperoxide

formaldehyd

tert-butylperoxymethyl acetate

tert-butylperoxymethyl propionate

Downstream raw materials:

tert-butylperoxymethyl tert-butyl peroxy-o-phthalate

N-Piperidinomethyl-tert-butylperoxid

tert-Butylperoxymethyldiethylamin

tert-butylperoxy-1-oxypiperidylmethane

Refernces

• 1、 Dickey,Rust,Vaughan. "-". . p. 1433. Retrieved 1949.
• 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.
• 3、 WEITZEL,BUDDECKE,SCHNEIDER. "Cytostatic effect of organic peroxide compounds on ascites tumor cells.". . p. 211 - 235. Retrieved 2007/10/04.