Monoethyl phthalate

Base Information

• Chemical Name: Monoethyl phthalate
• CAS No.: 2306-33-4
• Molecular Formula: C10H10 O4
• Molecular Weight: 194.187
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID3052696
• Nikkaji Number: J25.909H
• Wikidata: Q26840768
• Metabolomics Workbench ID: 38029
• Mol file: 2306-33-4.mol

Synonyms:14C-monoethyl phthalate;monoethyl phthalate

Chemical Property of Monoethyl phthalate

Chemical Property:

• Vapor Pressure: 3.53E-05mmHg at 25°C
• Melting Point: 46-48°C
• Refractive Index: 1.5030 (estimate)
• Boiling Point: 339.6°Cat760mmHg
• PKA: 3.32±0.10(Predicted)
• Flash Point: 135.3°C
• PSA: 63.60000
• Density: 1.241g/cm³
• LogP: 1.56150
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

99%, ^*data from raw suppliers

Monoethyl Phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1C(=O)O
• Uses: Phthalate metabolite.

Technology Process of Monoethyl phthalate

There total 15 articles about Monoethyl 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: 93.0%

Diethyl phthalate (84-66-2) → monoethyl phthalate (2306-33-4)

Guidance literature:

With potassium hydroxide; In water; dimethyl sulfoxide; at 0 ℃; for 2h; Solvent; Reagent/catalyst;

DOI:10.1016/j.tetlet.2017.12.061

Reference yield: 93.0%

phthalic anhydride (85-44-9) + ethanol (64-17-5) → monoethyl phthalate (2306-33-4)

Guidance literature:

With boron trifluoride diethyl etherate; for 0.0125h; further reagents;

DOI:10.1016/S0040-4020(99)00089-7

Reference yield: 89.0%

carbon dioxide (124-38-9,18923-20-1) + ethyl 2-iodobenzoate (1829-28-3) → monoethyl phthalate (2306-33-4)

Guidance literature:

ethyl 2-iodobenzoate; With phenyllithium; In tetrahydrofuran; diethyl ether; cyclohexane; at -60 ℃; for 3.88889E-06h; Flow reactor;

carbon dioxide; In tetrahydrofuran; diethyl ether; cyclohexane; at -60 ℃; Flow reactor;

DOI:10.1002/chem.201402520

upstream raw materials:

phthalic anhydride

ethanol

potassium cyanide

potassium hydrogen phthalate

Downstream raw materials:

ethyl methyl phthalate

phtalic acid ethyl-n-butyl ester

phthalic anhydride

cis-2-ethoxycarbonylmethylcyclohexane-1-carboxylic acid

Refernces

• 1、 Yassine, Hasna,Bouali, Jamila,Oumessaoud, Asmaa,Ourhzif, El Mahdi,Hamri, Salha,Hafid, Abderrafia,Khouili, Mostafa,Pujol, Maria Dolors. "Synthesis of New Dialkyl 2,2′-[Carbonyl bis (azanediyl)]dibenzoates via Curtius Rearrangement". . p. 1971 - 1979. Retrieved 2021/01/21.
• 2、 Tao, Na,Wang, Jie,Yuan, Chunchen,Zeng, Runsheng,Zhao, Ying-Sheng. "Palladium-Catalyzed Carboxylate-Assisted Ethoxycarboxylation of Aromatic Acids to Synthesize Monoethyl Phthalate Derivatives with Ethyl Bromodifluoroacetate". supporting information. p. 8607 - 8610. Retrieved 2019/11/03.