Diisopropyl phthalate

Base Information

• Chemical Name: Diisopropyl phthalate
• CAS No.: 605-45-8
• Molecular Formula: C14H18 O4
• Molecular Weight: 250.295
• Hs Code.: 2917349000
• European Community (EC) Number: 210-086-3
• NSC Number: 15315
• UNII: BFC138Q4PX
• DSSTox Substance ID: DTXSID2040731
• Nikkaji Number: J45.975E
• Wikidata: Q27116238
• ChEMBL ID: CHEMBL2130656
• Mol file: 605-45-8.mol

Synonyms:DIISOPROPYL PHTHALATE;605-45-8;Phthalic acid, diisopropyl ester;DIISOPROPYLPHTHALATE;dipropan-2-yl benzene-1,2-dicarboxylate;di-i-propyl phthalate;1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester;Diisopropyl phthalic acid;Phthalic Acid Diisopropyl Ester;EINECS 210-086-3;NSC 15315;UNII-BFC138Q4PX;BRN 1972723;BFC138Q4PX;AI3-01766;1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester;DTXSID2040731;CHEBI:34712;NSC-15315;Di-iso-propyl phthalate;Phthalic acid diisopropyl;BIDD:ER0177;SCHEMBL137907;CHEMBL2130656;DTXCID0020731;Phthalic acid, bis-isopropyl ester;NSC15315;Tox21_301512;MFCD00053717;AKOS015888288;CS-W012642;Diisopropyl phthalate, >=97.0% (GC);NCGC00164332-01;NCGC00255529-01;BS-50566;CAS-605-45-8;Diisopropyl phthalate, analytical standard;LS-109350;P0301;D91941;1,2-BENZENEDICARBOXYLIC ACID DIISOPROPYL ESTER;Q27116238;Diisopropyl phthalate, TraceCERT(R), certified reference material;1,2-Benzenedicarboxylic acid 1,2-bis(1-methylethyl) ester, NSC 15315, Phthalic acid diisopropyl ester

Chemical Property of Diisopropyl phthalate

Chemical Property:

• Appearance/Colour: White light beige crystalline powder
• Vapor Pressure: 0.00656mmHg at 25°C
• Melting Point: 20 °C
• Refractive Index: n20/D 1.490(lit.)
• Boiling Point: 271.2°C at 760 mmHg
• Flash Point: 140.2°C
• PSA: 52.60000
• Density: 1.063 g/mL at 20 °C(lit.)
• LogP: 2.81700
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Water Solubility.: 332.9mg/L(20 oC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 250.12050905
• Heavy Atom Count: 18
• Complexity: 266

Purity/Quality:

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

Diisopropyl Phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-40
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C
• Uses: Diisopropyl phthalate may be used as an analytical standard for the determination of the analyte in meter dose inhalers (MDI) and children′s plastic toys by gas chromatography-tandem mass spectrometry (GC-MS/MS) technique.

Technology Process of Diisopropyl phthalate

There total 12 articles about Diisopropyl 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: 87.0%

benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) + isopropyl alcohol (67-63-0,8013-70-5) → diisopropyl phthalate (605-45-8)

Guidance literature:

With thionyl chloride; sodium carbonate; for 2h; Heating;

DOI:10.1080/10426500490459812

Reference yield: 75.0%

phthalic anhydride (85-44-9) + isopropyl alcohol (67-63-0,8013-70-5) → diisopropyl phthalate (605-45-8)

Guidance literature:

With 1-(4-diphenylphosphinitebutyl)-3-methylimidazolium chloride; In neat (no solvent); at 100 ℃; for 6.5h; Reagent/catalyst;

DOI:10.1007/s13738-011-0065-0

Reference yield: 45.0%

isopropyl alcohol (67-63-0,8013-70-5) + phthalonitrile (91-15-6) → diisopropyl phthalate (605-45-8)

Guidance literature:

With Bromotrichloromethane; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; at 20 ℃; for 20h; Irradiation; Inert atmosphere;

DOI:10.1039/d0nj00002g

upstream raw materials:

2-iodo-propane

phthalic anhydride

propene

monoisopropyl phthalate

Downstream raw materials:

isopropyl benzoate

monoisopropyl phthalate

Refernces

• 1、 Valizadeh,Khalili. "Efficient synthesis of symmetrical phthalate and maleate diesters using phosphinite ionic liquids". . p. 529 - 534. Retrieved 2013/02/22.
• 2、 Kazemi, Foad,Kiasat, Ali Reza,Mombaini, Began. "Na2CO3/SOCl2: A mild and convenient reagent for the preparation of isopropyl carboxylates". . p. 1187 - 1191. Retrieved 2007/10/03.