Dinonyl phthalate

Base Information

• Chemical Name: Dinonyl phthalate
• CAS No.: 84-76-4
• Molecular Formula: C26H42O4
• Molecular Weight: 418.617
• Hs Code.: 29173300
• European Community (EC) Number: 271-087-2,201-560-0,272-012-6
• UNII: 90UCU78V8R
• DSSTox Substance ID: DTXSID9047966
• Nikkaji Number: J11.661K
• Wikidata: Q27271347
• ChEMBL ID: CHEMBL3186308
• Mol file: 84-76-4.mol

Synonyms:dinonylphthalate

Chemical Property of Dinonyl phthalate

Chemical Property:

• Appearance/Colour: clear yellow-brown oily liquid
• Melting Point: 162 - 163oC
• Refractive Index: n20/D 1.486
• Boiling Point: 435.5 °C at 760 mmHg
• Flash Point: 233.1 °C
• PSA: 52.60000
• Density: 0.97 g/cm³
• LogP: 7.50140
• Water Solubility.: <1 g/L (20℃)
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 418.30830982
• Heavy Atom Count: 30
• Complexity: 395

Purity/Quality:

96% 1H NMR ^*data from raw suppliers

Dinonyl Phthalate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB,Plastics & Rubber -> Phthalate Esters
• Canonical SMILES: CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC
• Uses: Dinonyl Phthalate is a Phthalate derivative and an organic extract contaminant found in drinking water, which was shown to activate Nrf-2-Mediated Antioxidant response in human cell line.

Technology Process of Dinonyl phthalate

There total 5 articles about Dinonyl 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:

o-xylene (95-47-6) + nonyl alcohol (143-08-8) → dinonyl phthalate (84-76-4)

Guidance literature:

o-xylene; With oxygen; at 200 ℃; for 0.5h; under 11251.1 Torr;

nonyl alcohol; at 150 ℃; for 2h;

Reference yield:

phthalic anhydride (85-44-9) + nonyl alcohol (143-08-8) → dinonyl phthalate (84-76-4)

Guidance literature:

With sulfuric acid;

Reference yield:

oct-1-ene (111-66-0,25068-25-1) → dinonyl phthalate (84-76-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: hydrogen / phosphine modified cobalt catalyst / 7 h / 200 °C / 51680.2 Torr / Autoclave

1.2: 6.5 h / 50 - 90 °C / Inert atmosphere

1.3: 0.5 h / 80 - 90 °C / Inert atmosphere

2.1: methanesulfonic acid / toluene / 5 h / Reflux; Inert atmosphere

With methanesulfonic acid; hydrogen; phosphine modified cobalt catalyst; In toluene;

upstream raw materials:

phthalic anhydride

nonyl alcohol

Diethyl phthalate

oct-1-ene

Refernces

• 1、 -. "NONYL ALCOHOLS WITH A LOW DEGREE OF BRANCHING AND THEIR DERIVATIVES". Page/Page column 2. . Retrieved 2012/12/14.