Mono-sec-butyl phthalate

Base Information

• Chemical Name: Mono-sec-butyl phthalate
• CAS No.: 53623-59-9
• Molecular Formula: C12H14 O4
• Molecular Weight: 222.241
• Hs Code.: 2918990090
• European Community (EC) Number: 684-532-4
• NSC Number: 29059
• Nikkaji Number: J58.100C
• Mol file: 53623-59-9.mol

Synonyms:Mono-sec-butyl phthalate;53623-59-9;MONOSEC-BUTYLPHTHALATE;2-butan-2-yloxycarbonylbenzoic acid;Phthalic acid, mono-sec-butyl ester;1,2-Benzenedicarboxylic acid, mono(1-methylpropyl) ester;NSC 29059;AI3-11180;NSC29059;Phthalsauremethyl-n-Propylester;SCHEMBL2989810;USZVTXIEQADBGH-UHFFFAOYSA-N;2-(sec-Butoxycarbonyl)benzoic acid;NSC-29059;AKOS022654387;AS-77331;PHTHALIC ACID MONO-SEC-BUTYL ESTER;D93481

Chemical Property of Mono-sec-butyl phthalate

Chemical Property:

• Vapor Pressure: 1.06E-05mmHg at 25°C
• Melting Point: 59-60 °C
• Boiling Point: 356.6°Cat760mmHg
• PKA: 3.37±0.36(Predicted)
• Flash Point: 135°C
• PSA: 63.60000
• Density: 1.171g/cm³
• LogP: 2.34010
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

Mono-sec-butylPhthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)OC(=O)C1=CC=CC=C1C(=O)O
• Uses: Mono-sec-butyl Phthalatecan be used as plasticizers in the manufacture of products made of polyvinyl chloride. It has also been shown to activate the nuclear transcription factor peroxisome proliferator-activated receptor-α (PPARα), and PPAR-γ (PPARγ), and thus having adverse health effects. Mono-sec-butyl Phthalate, can be used as plasticizers in the manufacture of products made of polyvinyl chloride. it has also been shown to activate the nuclear transcription factor peroxisome proliferator-activated receptor-α (PPARα), and PPAR-γ (PPARγ), and thus having adverse health effects.

Technology Process of Mono-sec-butyl phthalate

There total 2 articles about Mono-sec-butyl phthalate 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:

phthalic anhydride (85-44-9) + iso-butanol (78-92-2,15892-23-6) → (+/-)-phthalic acid mono-sec-butyl ester (53623-59-9)

Guidance literature:

at 100 ℃;

Reference yield:

→ (+/-)-phthalic acid mono-sec-butyl ester (53623-59-9)

Guidance literature:

Racematspaltung m. Brucin;

DOI:10.1039/C29690000603

Reference yield:

(+/-)-phthalic acid mono-sec-butyl ester (53623-59-9) → phthalic anhydride (85-44-9) + iso-butanol (78-92-2,15892-23-6)

Guidance literature:

bei Erwaermen auf den Schmelzpunkt unter vermindertem Druck;

upstream raw materials:

phthalic anhydride

iso-butanol

Downstream raw materials:

phthalic anhydride

iso-butanol