Diisodecyl phthalate

Base Information

• Chemical Name: Diisodecyl phthalate
• CAS No.: 89-16-7
• Deprecated CAS: 105009-98-1,1341-39-5,148384-02-5
• Molecular Formula: C28H46O4
• Molecular Weight: 446.671
• European Community (EC) Number: 271-091-4,201-884-2,247-977-1
• ICSC Number: 0875
• UNII: WF93T741QI
• DSSTox Substance ID: DTXSID50274032
• Nikkaji Number: J3.799K
• Wikipedia: Diisodecyl_phthalate
• Wikidata: Q904337
• Metabolomics Workbench ID: 130609
• ChEMBL ID: CHEMBL3183266
• Mol file: 89-16-7.mol

Synonyms:di-isodecyl phthalate;diisodecyl phthalate

Chemical Property of Diisodecyl phthalate

Chemical Property:

• Vapor Pressure: 5.63E-10mmHg at 25°C
• Melting Point: -50oC
• Refractive Index: 1.487
• Boiling Point: 425.8 °C at 760 mmHg
• Flash Point: 227.6 °C
• PSA: 52.60000
• Density: 0.964g/cm³
• LogP: 7.99340
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 446.33960994
• Heavy Atom Count: 32
• Complexity: 442

Purity/Quality:

98%,99%, ^*data from raw suppliers

Diisodecyl phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Plastics & Rubber -> Phthalate Esters
• Canonical SMILES: CC(C)CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin.
• Effects of Long Term Exposure: The substance may have effects on the liver.
• Uses: A phtalate ester found in plastic gasket used in food packaging. Used in environmental toxicology studies as a present contaminant.

Technology Process of Diisodecyl phthalate

There total 5 articles about Diisodecyl 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:

8-methyl-1-nonanol (55505-26-5) + o-xylene (95-47-6) → diisodecyl phthalate (89-16-7)

Guidance literature:

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

8-methyl-1-nonanol; at 150 ℃; for 4h;

Reference yield:

8-methyl-1-nonanol (55505-26-5) + phthalic acid dimethyl ester (131-11-3,64441-70-9) → diisodecyl phthalate (89-16-7)

Guidance literature:

With Ethylenediamine titanium; In water; at 210 ℃; for 4h;

Reference yield:

phthalic anhydride (85-44-9) + 8-methyl-1-nonanol (55505-26-5) → diisodecyl phthalate (89-16-7)

Guidance literature:

With potassium hydroxide; In water;

upstream raw materials:

phthalic anhydride

8-methyl-1-nonanol

o-xylene

phthalic acid dimethyl ester

Refernces

• 1、 -. "Method for preparing high-carbon alcohol phthalate through ester exchange under catalytic action of titanium chelates". Paragraph 0015-0021. . Retrieved 2019/01/08.
• 2、 -. "Process for producing carboxylic acid esters and catalysts therefor". . . Retrieved 2008/06/13.