Bis(2-propylheptyl) phthalate

Base Information

• Chemical Name: Bis(2-propylheptyl) phthalate
• CAS No.: 53306-54-0
• Deprecated CAS: 1013020-51-3
• Molecular Formula: C28H46O4
• Molecular Weight: 446.671
• Hs Code.: 29173300
• European Community (EC) Number: 258-469-4
• NSC Number: 17071
• DSSTox Substance ID: DTXSID5052173
• Nikkaji Number: J295.926G
• Wikipedia: DPHP
• Metabolomics Workbench ID: 156000
• Mol file: 53306-54-0.mol

Synonyms:bis(2-propylheptyl)phthalate;di(2-propylheptyl)phthalate;di-(2-propylheptyl)phthalate;Palatinol 10-P

Chemical Property of Bis(2-propylheptyl) phthalate

Chemical Property:

• Vapor Pressure: 1.86E-07mmHg at 25°C
• Refractive Index: 1.486
• Boiling Point: 425.8 °C at 760 mmHg
• Flash Point: 227.6 °C
• PSA: 52.60000
• Density: 0.964g/cm³
• LogP: 7.99340
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• Water Solubility.: 2.2ng/L at 25℃
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 446.33960994
• Heavy Atom Count: 32
• Complexity: 446

Purity/Quality:

99% ^*data from raw suppliers

Bis(2-propylheptyl)Phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCCCC
• Uses: One of the main metabolite of phthalates.

Technology Process of Bis(2-propylheptyl) phthalate

There total 7 articles about Bis(2-propylheptyl) 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: 99.0%

2-propylheptan-1-ol (10042-59-8) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) → di(2-propylheptyl) phthalate (53306-54-0)

Guidance literature:

With titanium(IV) isopropylate; at 170 - 220 ℃; for 4.5h; under 760.051 Torr; Inert atmosphere; Large scale;

Reference yield:

2-propylheptan-1-ol (10042-59-8) + o-xylene (95-47-6) → di(2-propylheptyl) phthalate (53306-54-0)

Guidance literature:

o-xylene; With oxygen; cobalt(II) acetate; manganese(II) acetate; cerium(III) acetate; at 200 ℃; for 1h; under 11251.1 Torr;

2-propylheptan-1-ol; With tetramethoxytitanium; at 150 ℃; for 1h;

Reference yield:

2-propylheptan-1-ol (10042-59-8) + phthalic acid dimethyl ester (131-11-3,64441-70-9) → di(2-propylheptyl) phthalate (53306-54-0)

Guidance literature:

With O-phenanthroline titanium; In water; at 210 ℃; for 4h; Reagent/catalyst; Temperature;

upstream raw materials:

phthalic anhydride

2-propylheptan-1-ol

o-xylene

benzene-1,2-dicarboxylic acid

Refernces

• 1、 -. "Method for preparing high-carbon alcohol phthalate through ester exchange under catalytic action of titanium chelates". Paragraph 0015-0020; 0022-0025. . Retrieved 2019/01/08.
• 2、 -. "A preparing phthalic acid bis (2 - propyl heptyl) ester method". Paragraph 0006; 0013-0023. . Retrieved 2020/02/08.