Diisobutyl phthalate

Base Information

• Chemical Name: Diisobutyl phthalate
• CAS No.: 84-69-5
• Molecular Formula: C16H22O4
• Molecular Weight: 278.348
• Hs Code.: 29173400
• European Community (EC) Number: 201-553-2
• ICSC Number: 0829
• NSC Number: 15316
• UNII: IZ67FTN290
• DSSTox Substance ID: DTXSID9022522
• Nikkaji Number: J3.535A
• Wikipedia: Diisobutyl_phthalate
• Wikidata: Q162259
• Metabolomics Workbench ID: 42497
• ChEMBL ID: CHEMBL1370662
• Mol file: 84-69-5.mol

Synonyms:di-iso-butyl phthalate;diisobutyl phthalate

Chemical Property of Diisobutyl phthalate

Chemical Property:

• Appearance/Colour: oily colorless liquid with a slight ester odor
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: -64 °C
• Refractive Index: n20/D 1.49(lit.)
• Boiling Point: 295.3 °C at 760 mmHg
• Flash Point: 153.9 °C
• PSA: 52.60000
• Density: 1.05 g/cm³
• LogP: 3.31220
• Water Solubility.: Insoluble
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 278.15180918
• Heavy Atom Count: 20
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Diisobutyl phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: N,Xn,T
• Statements: 50/53-63-62-61
• Safety Statements: 60-61-36/37-45-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Phthalate Esters
• Canonical SMILES: CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Long Term Exposure: Animal tests show that this substance possibly causes toxicity to human reproduction or development.
• Uses: Diisobutyl Phthalate is a Dialkyl phthalate ester phthalate plasticizer which can be used as a substitute of dibutyl phthalate. Diisobutyl Phthalate as well as other phthalates have genotoxic effects and studies shown an increase in its monoester metabolite in human urine over the years.

Technology Process of Diisobutyl phthalate

There total 8 articles about Diisobutyl 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: 99.5%

phthalic anhydride (85-44-9) + 2-methyl-propan-1-ol (78-83-1) → 1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester (84-69-5)

Guidance literature:

phthalic anhydride; 2-methyl-propan-1-ol; at 120 - 150 ℃; for 4h;

With calcium oxide; at 20 ℃; for 1h; Reagent/catalyst;

Reference yield: 75.0%

2-methyl-propan-1-ol (78-83-1) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) → 1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester (84-69-5)

Guidance literature:

With triflic acid on silica-encapsulated superparamagnetic iron oxide nanoparticles; In neat (no solvent); at 90 ℃; for 1.5h; Time; Reagent/catalyst; Catalytic behavior; Flow reactor; Green chemistry;

DOI:10.1039/C8RA07838F

Reference yield:

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → terephthalic acid (100-21-0) + 1,2-benzenedicarboxylic acid bis(2-methylpropyl) ester (84-69-5) + phenol (108-95-2,27073-41-2) + 4-hydroxy-benzoic acid (99-96-7)

Guidance literature:

With Ag nanoparticles (NPs) loaded AgBr mesoporous tungsten(VI) oxide composite; In water; at 20 ℃; Reagent/catalyst; Kinetics; UV-irradiation;

DOI:10.1111/php.13118

upstream raw materials:

phthalic anhydride

2-methyl-propan-1-ol

Diethyl phthalate

2-Ethylhexyl alcohol

Downstream raw materials:

phtalic acid mono-iso-butyl ester

benzene-1,2-dicarboxylic acid

Refernces

• 1、 -. "Method for preparing diisobutyl phthalate". Paragraph 0052-0082. . Retrieved 2019/10/23.
• 2、 Tashi, Maryam,Shafiee, Behnaz,Sakamaki, Yoshie,Hu, Ji-Yun,Heidrick, Zachary,Khosropour, Ahmad R.,Beyzavi, M. Hassan. "Micro-flow nanocatalysis: synergic effect of TfOH@SPIONs and micro-flow technology as an efficient and robust catalytic system for the synthesis of plasticizers". . p. 37835 - 37840. Retrieved 2018/11/26.