Dibutyl isophthalate

Base Information

• Chemical Name: Dibutyl isophthalate
• CAS No.: 3126-90-7
• Molecular Formula: C16H22 O4
• Molecular Weight: 278.348
• Hs Code.: 2917399090
• NSC Number: 6348
• UNII: 9JXO0GKJ2Y
• DSSTox Substance ID: DTXSID8021696
• Nikkaji Number: J68.818E
• Wikidata: Q81983855
• Mol file: 3126-90-7.mol

Synonyms:Dibutyl isophthalate;3126-90-7;dibutyl benzene-1,3-dicarboxylate;1,3-Benzenedicarboxylic acid, dibutyl ester;ISOPHTHALIC ACID, DIBUTYL ESTER;dibutylisophthalate;NSC 6348;9JXO0GKJ2Y;BRN 2217869;NSC-6348;1,3-dibutyl benzene-1,3-dicarboxylate;1,3-Benzenedicarboxylicacid, 1,3-dibutyl ester;Dibutyl isophthlate;Di-n-butylisophthlate;Di-n-butylisophthalate;UNII-9JXO0GKJ2Y;Isophthalic acid dibutyl ester;SCHEMBL111861;DTXSID8021696;NSC6348;MFCD01717598;AKOS028108398;AS-57275;LS-85235;1,3-Benzenedicarboxylic acid 1,3-dibutyl ester

Chemical Property of Dibutyl isophthalate

Chemical Property:

• Vapor Pressure: 7.84E-05mmHg at 25°C
• Refractive Index: 1.4350 (estimate)
• Boiling Point: 341.8°Cat760mmHg
• Flash Point: 180.2°C
• PSA: 52.60000
• Density: 1.053g/cm³
• LogP: 3.60040
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 278.15180918
• Heavy Atom Count: 20
• Complexity: 273

Purity/Quality:

99%, ^*data from raw suppliers

DIBUTYL ISOPHTHALATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCC

Technology Process of Dibutyl isophthalate

There total 1 articles about Dibutyl isophthalate 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:

→ dibutyl isophthalate (3126-90-7)

Guidance literature:

Isophthalsaeure , Butylalkohol ,<225grad>;

Reference yield: 97.3%

4-AMINO-2,2,6,6-TETRAMETHYLPIPERIDINE (36768-62-4) + dibutyl isophthalate (3126-90-7) → N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-1,3-benzenedicarboxamide (42774-15-2)

Guidance literature:

With sodium methylate; In methanol; at 60 - 130 ℃; for 3h; under 37.5038 Torr; Inert atmosphere; Large scale;

Downstream raw materials:

N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-1,3-benzenedicarboxamide