DI-ISO-BUTYL PHTHALATE-3,4,5,6-D4

Base Information

• Chemical Name: DI-ISO-BUTYL PHTHALATE-3,4,5,6-D4
• CAS No.: 358730-88-8
• Molecular Formula: C₁₆H₂₂O₄
• Molecular Weight: 282.317
• Mol file: 358730-88-8.mol

Synonyms:DI-ISO-BUTYL PHTHALATE-3,4,5,6-D4;DI-ISO-BUTYL PHTHALATE-D4

Chemical Property of DI-ISO-BUTYL PHTHALATE-3,4,5,6-D4

Chemical Property:

• Boiling Point: 327 °C(lit.)
• Flash Point: 109 °C
• PSA: 52.60000
• Density: 1.039 g/mL at 25 °C
• LogP: 3.31220

Purity/Quality:

99% ^*data from raw suppliers

DiisobutylPhthalate-d4 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N,T
• Statements: 50/53-62-61
• Safety Statements: 60-61-45-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: Diisobutyl Phthalate-d4, 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. This product may be used as an analytical standard.

Technology Process of DI-ISO-BUTYL PHTHALATE-3,4,5,6-D4

There total 2 articles about DI-ISO-BUTYL PHTHALATE-3,4,5,6-D4 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: 99.1%

2-methyl-propan-1-ol (78-83-1) + 3,4,5,6-tetradeuterophtaloyl dicarboxylic acid (87976-26-9) → diisobutyl phthalate-3,4,5,6-D4 (358730-88-8)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1002/jlcr.3930

Reference yield:

o-xylene-d10 (56004-61-6) → diisobutyl phthalate-3,4,5,6-D4 (358730-88-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium permanganate; water / 2-methyl-propan-1-ol / 20 °C / Reflux

2: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 1 h / 20 °C

With dmap; potassium permanganate; water; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; 2-methyl-propan-1-ol;

DOI:10.1002/jlcr.3930

upstream raw materials:

o-xylene-d10

2-methyl-propan-1-ol

3,4,5,6-tetradeuterophtaloyl dicarboxylic acid

Refernces