2-Propeneperoxoic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)-

Base Information

• Chemical Name: 2-Propeneperoxoic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)-
• CAS No.: 1931-62-0
• Molecular Formula: C8H12O5
• Molecular Weight: 188.18
• Hs Code.: 29161995
• European Community (EC) Number: 217-691-1
• UN Number: 3108
• DSSTox Substance ID: DTXSID20883776
• Nikkaji Number: J2.134B
• Wikidata: Q82862601
• Mol file: 1931-62-0.mol

Synonyms:OO-tert-butyl monoperoxymaleate;EINECS 217-691-1;1931-62-0;2-Propeneperoxoic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)-;NA2099;UN2099;Maleic monoperoxyacid, 1-tert-butyl ester;tert-butyl permaleate;t-butylmonoperoxymaleate;2-Propeneperoxoic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester, (Z)-;SCHEMBL11226261;DTXSID20883776;(2Z)-1-(1,1-Dimethylethyl) 3-carboxy-2-propeneperoxoate

Chemical Property of 2-Propeneperoxoic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)-

Chemical Property:

• Appearance/Colour: white viscous paste
• Vapor Pressure: 0.00358mmHg at 25°C
• Melting Point: 130-131 °C
• Refractive Index: 1.469
• Boiling Point: 260.8 °C at 760 mmHg
• PKA: 2.38±0.25(Predicted)
• Flash Point: 98 °C
• PSA: 72.83000
• Density: 1.185 g/cm³
• LogP: 0.90050
• Storage Temp.: Flammables area
• Water Solubility.: 642mg/L at 20℃
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 188.06847348
• Heavy Atom Count: 13
• Complexity: 223
• Transport DOT Label: Organic Peroxide

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn,O
• Hazard Codes: Xn-O
• Statements: 7-41-36/38-22
• Safety Statements: 36/37/39-3/7-26-14A

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OOC(=O)C=CC(=O)O
• Isomeric SMILES: CC(C)(C)OOC(=O)/C=C\C(=O)O

Technology Process of 2-Propeneperoxoic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)-

There total 2 articles about 2-Propeneperoxoic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)- 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:

maleic anhydride (108-31-6) + tert.-butylhydroperoxide (75-91-2) → OO-tert-butyl monoperoxymaleate (1931-62-0)

Guidance literature:

at 50 - 51 ℃;

Reference yield:

→ OO-tert-butyl monoperoxymaleate (1931-62-0)

Guidance literature:

Maleinsaeureanhydrid, (CH3)3-C-O-OH ;

upstream raw materials:

maleic anhydride

tert.-butylhydroperoxide