2,2-Dimethylpropane-1,3-diyl bisisobutyrate

Base Information

• Chemical Name: 2,2-Dimethylpropane-1,3-diyl bisisobutyrate
• CAS No.: 63512-34-5
• Molecular Formula: C13H24O4
• Molecular Weight: 244.331
• European Community (EC) Number: 264-282-9
• NSC Number: 231654
• DSSTox Substance ID: DTXSID80212922
• Nikkaji Number: J349.247H
• Wikidata: Q83088151
• Mol file: 63512-34-5.mol

Synonyms:63512-34-5;2,2-Dimethylpropane-1,3-diyl bisisobutyrate;EINECS 264-282-9;NSC231654;SCHEMBL7934757;DTXSID80212922;NSC 231654;NSC-231654;1,3-Propanediol diisobutyrate, 2,2-dimethyl;Bisisobutyric acid 2,2-dimethyl-1,3-propanediyl ester;[2,2-Dimethyl-3-(2-methylpropanoyloxy)propyl]2-methylpropanoate

Chemical Property of 2,2-Dimethylpropane-1,3-diyl bisisobutyrate

Chemical Property:

• Vapor Pressure: 0.00123mmHg at 25°C
• Boiling Point: 299°Cat760mmHg
• Flash Point: 136.2°C
• PSA: 52.60000
• Density: 0.973g/cm³
• LogP: 2.41100
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 244.16745924
• Heavy Atom Count: 17
• Complexity: 241

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(=O)OCC(C)(C)COC(=O)C(C)C

Technology Process of 2,2-Dimethylpropane-1,3-diyl bisisobutyrate

There total 3 articles about 2,2-Dimethylpropane-1,3-diyl bisisobutyrate 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:

2,2-Dimethyl-1,3-propanediol (126-30-7) + isobutyric Acid (79-31-2) → 2-methyl-propanoic acid, 2,2-dimethyl-1,3-propanediyl ester (63512-34-5) + 2,2-dimethyl-3-hydroxypropyl 2-methylpropionate (5919-84-6)

Guidance literature:

With phosphoric acid; In benzene; Heating;

DOI:10.1134/S0036024420030188

Reference yield:

2,2-Dimethyl-1,3-propanediol (126-30-7) + isobutyric Acid (79-31-2) → 2-methyl-propanoic acid, 2,2-dimethyl-1,3-propanediyl ester (63512-34-5)

Guidance literature:

sulfonic acid; at 180 ℃;

Reference yield:

2,2-Dimethyl-1,3-propanediol (126-30-7) + 2-isopropylidene-5,5-dimethyl-[1,3]dioxane-4,6-dione (4858-67-7) → 2-methyl-propanoic acid, 2,2-dimethyl-1,3-propanediyl ester (63512-34-5)

Guidance literature:

With potassium carbonate; at 160 ℃;

upstream raw materials:

2,2-Dimethyl-1,3-propanediol

2-isopropylidene-5,5-dimethyl-[1,3]dioxane-4,6-dione

isobutyric Acid

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