Maleic acid, monoisobutyl ester

Base Information

• Chemical Name: Maleic acid, monoisobutyl ester
• CAS No.: 925-05-3
• Deprecated CAS: 144011-44-9,144885-03-0,144885-03-0
• Molecular Formula: C8H12 O4
• Molecular Weight: 172.181
• European Community (EC) Number: 213-112-1
• UNII: KDC7836164
• DSSTox Substance ID: DTXSID6061286
• Nikkaji Number: J298.485G
• Wikidata: Q27282193
• Mol file: 925-05-3.mol

Synonyms:Isobutyl hydrogen maleate;monoisobutyl maleate;Maleic acid, monoisobutyl ester;isobutyl maleate;925-05-3;UNII-KDC7836164;EINECS 213-112-1;2-Butenedioic acid (2Z)-, mono(2-methylpropyl) ester;KDC7836164;2-Butenedioic acid (2Z)-, 1-(2-methylpropyl) ester;2-Butenedioic acid (Z)-, mono(2-methylpropyl) ester;Maleinsaureisobutylester;Maleic acid 1-isobutyl ester;(C8-H12-O4.C5-H8-O2.C4-H6-O2.C4-H6-O2)x-.x-Na;2-METHYLPROPYL MALEATE;SCHEMBL809869;DTXSID6061286;MALEIC ACID, ISOBUTYL ESTER;67906-92-7;Q27282193

Chemical Property of Maleic acid, monoisobutyl ester

Chemical Property:

• Vapor Pressure: 0.000944mmHg at 25°C
• Boiling Point: 281.4°C at 760 mmHg
• Flash Point: 110°C
• PSA: 63.60000
• Density: 1.127g/cm³
• LogP: 0.82640
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Maleic acid, monoisobutyl ester

There total 2 articles about Maleic acid, monoisobutyl ester 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: 96.0%

succinic acid anhydride (108-30-5) + 2-methyl-propan-1-ol (78-83-1) → maleic acid monoisobutyl ester (925-05-3)

Guidance literature:

Heating;

DOI:10.1039/c8ra06354k

Reference yield:

maleic anhydride (108-31-6) + 2-methyl-propan-1-ol (78-83-1) → maleic acid monoisobutyl ester (925-05-3)

Guidance literature:

Reference yield:

maleic acid monoisobutyl ester (925-05-3) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → (+/-)-cis-cyclohexene-(4)-dicarboxylic acid-(1.2)-monoisobutyl ester

Guidance literature:

With water; sodium acetate; hydroquinone;

upstream raw materials:

maleic anhydride

2-methyl-propan-1-ol

succinic acid anhydride