Monocyclohexyl phthalate

Base Information

• Chemical Name: Monocyclohexyl phthalate
• CAS No.: 7517-36-4
• Molecular Formula: C14H16 O4
• Molecular Weight: 248.279
• European Community (EC) Number: 809-729-6
• DSSTox Substance ID: DTXSID3052729
• Nikkaji Number: J31.502H
• Wikidata: Q27225618
• Metabolomics Workbench ID: 74838
• Mol file: 7517-36-4.mol

Synonyms:2-(3-methylcinnamylhydrazono)propionate;BM 42,304;BM 42304;BM-42.304;BM-42304;MCHP

Chemical Property of Monocyclohexyl phthalate

Chemical Property:

• Vapor Pressure: 1.82E-07mmHg at 25°C
• Melting Point: 89-91°C
• Boiling Point: 410.2°C at 760 mmHg
• Flash Point: 154.6°C
• PSA: 63.60000
• Density: 1.23g/cm³
• LogP: 2.87430
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 248.10485899
• Heavy Atom Count: 18
• Complexity: 307

Purity/Quality:

98%Min ^*data from raw suppliers

Monocyclohexyl Phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 1976696
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)O
• Uses: Dicyclohexyl Phthalate (DCHP) metabolite.

Technology Process of Monocyclohexyl phthalate

There total 3 articles about Monocyclohexyl 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: 90.0%

dicyclohexyl phthalate (84-61-7) → mono-cyclohexyl phthalate (7517-36-4)

Guidance literature:

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

DOI:10.1016/j.tet.2018.09.051

Reference yield:

phthalic anhydride (85-44-9) + cyclohexanol (108-93-0) → mono-cyclohexyl phthalate (7517-36-4)

Guidance literature:

at 140 ℃;

Reference yield:

pyridine (110-86-1) + phthalic anhydride (85-44-9) + cyclohexanol (108-93-0) → mono-cyclohexyl phthalate (7517-36-4)

Guidance literature:

upstream raw materials:

pyridine

phthalic anhydride

cyclohexanol

dicyclohexyl phthalate

Downstream raw materials:

phthalamic acid cyclohexyl ester

2-Chlorocarbonyl-benzoic acid cyclohexyl ester

Refernces

• 1、 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.