Dicyclohexyl phthalate

Base Information

• Chemical Name: Dicyclohexyl phthalate
• CAS No.: 84-61-7
• Deprecated CAS: 169741-16-6,55819-02-8
• Molecular Formula: C20H26O4
• Molecular Weight: 330.424
• Hs Code.: 29173400
• European Community (EC) Number: 201-545-9
• ICSC Number: 0651
• NSC Number: 6101
• UN Number: 3082
• UNII: CGD15M7H2N
• DSSTox Substance ID: DTXSID5025021
• Nikkaji Number: J47.120H
• Wikidata: Q1210373
• Metabolomics Workbench ID: 155995
• ChEMBL ID: CHEMBL3185893
• Mol file: 84-61-7.mol

Synonyms:dicyclohexyl phthalate

Chemical Property of Dicyclohexyl phthalate

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.1 mm Hg ( 150 °C)
• Melting Point: 63-67 °C
• Refractive Index: 1.485
• Boiling Point: 425.8 °C at 760 mmHg
• Flash Point: 206.6 °C
• PSA: 52.60000
• Density: 1.14 g/cm³
• LogP: 4.66560
• Storage Temp.: Store below +30°C.
• Solubility.: 0.2mg/l
• Water Solubility.: insoluble
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 330.18310931
• Heavy Atom Count: 24
• Complexity: 381
• Transport DOT Label: Class 9

Purity/Quality:

99% ^*data from raw suppliers

Dicyclohexyl phthalate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Phthalate Esters
• Canonical SMILES: C1CCC(CC1)OC(=O)C2=CC=CC=C2C(=O)OC3CCCCC3
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Uses: Dicyclohexyl Phthalate is a phthalate ester used as a plasticizer as well as being present in cosmetic products. Dicyclohexyl Phthalate that is a weak drug-type inducer of hepatic xenobiotic metabolis m. Dicyclohexyl Phthalate is a phthalate ester used as a plasticizer as well as being present in cosmetic products. Dicyclohexyl Phthalate that is a weak drug-type inducer of hepatic xenobiotic metabolism. DCHP modified multi-walled carbon nanotubes (MWCNTs) may be used to functionalize screen printed electrodes in biosensor based applications. It may also be used as a reference standard for the determination of dicyclohexyl phthalate in aquatic matrices by ultra-high performance liquid chromatography coupled to hybrid Q-orbitrap mass spectrometry(UHPLC-HRMS).

Technology Process of Dicyclohexyl phthalate

There total 5 articles about Dicyclohexyl 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: 80.0%

phthalic anhydride (85-44-9) + cyclohexanol (108-93-0) → dicyclohexyl phthalate (84-61-7)

Guidance literature:

With 1-(4-diphenylphosphinitebutyl)-3-methylimidazolium chloride; In neat (no solvent); at 100 ℃; for 6h; Reagent/catalyst;

DOI:10.1007/s13738-011-0065-0

Reference yield:

o-xylene (95-47-6) + cyclohexanol (108-93-0) → dicyclohexyl phthalate (84-61-7)

Guidance literature:

o-xylene; With oxygen; cobalt(II) acetate; manganese(II) acetate; at 200 ℃; for 1h; under 15001.5 Torr;

cyclohexanol; With sulfate-doped zirconia; at 150 ℃; for 3h;

Reference yield:

Phthaloyl dichloride (88-95-9) + cyclohexanol (108-93-0) → dicyclohexyl phthalate (84-61-7)

Guidance literature:

With pyridine;

upstream raw materials:

pyridine

Phthaloyl dichloride

cyclohexanol

phthalic anhydride

Downstream raw materials:

mono-cyclohexyl phthalate

Refernces

• 1、 Valizadeh,Khalili. "Efficient synthesis of symmetrical phthalate and maleate diesters using phosphinite ionic liquids". . p. 529 - 534. Retrieved 2013/02/22.