Monopropyl Phthalate

Base Information

• Chemical Name: Monopropyl Phthalate
• CAS No.: 4376-19-6
• Molecular Formula: C11H12 O4
• Molecular Weight: 208.214
• NSC Number: 309966
• UNII: IE84CC2VVO
• DSSTox Substance ID: DTXSID60195926
• Nikkaji Number: J1.034.929J
• Wikidata: Q83068999
• Mol file: 4376-19-6.mol

Synonyms:Monopropyl Phthalate;4376-19-6;2-propoxycarbonylbenzoic acid;2-(propoxycarbonyl)benzoic acid;1,2-Benzenedicarboxylic acid, monopropyl ester;MONOPROPYLPHTHALATE;IE84CC2VVO;NSC 309966;Phthalic acid, monopropyl ester;NSC-309966;1,2-Benzenedicarboxylic acid, 1-propyl ester;Mono-n-propyl phthalate;Propyl hydrogen phthalate;Phthalsaureathylmethylester;UNII-IE84CC2VVO;1,2-Benzenedicarboxylic Acid 1-Propyl Ester;Phthalic acid 1-propyl ester;SCHEMBL235931;DTXSID60195926;PHTHALIC ACID, PROPYL ESTER;NSC309966;FT-0672503

Chemical Property of Monopropyl Phthalate

Chemical Property:

• Vapor Pressure: 1.55E-05mmHg at 25°C
• Boiling Point: 351.2°C at 760 mmHg
• Flash Point: 136.6°C
• Density: 1.204g/cm³
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

MonopropylPhthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)C1=CC=CC=C1C(=O)O
• Uses: Phthalate ester metabolite used to study the role of peroxisome proliferator-activated receptor (PPAR) in the mediating effects of phthalates and metabolites in the liver. Studies suggest that it may possess testicular toxicity. Phthalate ester metabolite used to study the role of peroxisome proliferator-activated receptor (PPAR) in the mediating effects of phthalates and metabolites in the liver. Studies suggest that it may possess testicular toxicity.

Technology Process of Monopropyl Phthalate

There total 3 articles about Monopropyl 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: 85.0%

di-n-propyl phthalate (131-16-8) → 2-(propoxycarbonyl)benzoic acid (4376-19-6)

Guidance literature:

With potassium hydroxide; In water; dimethyl sulfoxide; at 0 ℃; for 3.5h; Solvent;

DOI:10.1016/j.tetlet.2017.12.061

Reference yield: 31.0%

propan-1-ol (71-23-8) + phthalic anhydride (85-44-9) → 2-(propoxycarbonyl)benzoic acid (4376-19-6) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

for 1h; Reflux;

DOI:10.1055/s-0040-1706643

Reference yield:

propan-1-ol (71-23-8) + phthalic anhydride (85-44-9) → 2-(propoxycarbonyl)benzoic acid (4376-19-6)

Guidance literature:

upstream raw materials:

propan-1-ol

phthalic anhydride

di-n-propyl phthalate

Refernces

• 1、 Shi, Jianjun,Niwayama, Satomi. "Practical selective monohydrolysis of bulky symmetric diesters". . p. 799 - 802. Retrieved 2018/02/10.
• 2、 Suzuki,Yaguchi,Suzuki,Suga. "Monitoring of phthalic acid monoesters in river water by solid-phase extraction and GC-MS determination". . p. 3757 - 3763. Retrieved 2007/10/03.