Bis(1-methylheptyl) phthalate

Base Information

• Chemical Name: Bis(1-methylheptyl) phthalate
• CAS No.: 131-15-7
• Molecular Formula: C24H38O4
• Molecular Weight: 390.563
• Hs Code.: 2917349000
• European Community (EC) Number: 205-014-2
• NSC Number: 3926
• UNII: DM00F2G7X0
• DSSTox Substance ID: DTXSID0051655
• Nikkaji Number: J10.016A
• Wikidata: Q27893645
• Mol file: 131-15-7.mol

Synonyms:131-15-7;Bis(1-methylheptyl) phthalate;Disecoctyl phthalate;Genomoll 100;Monoplex DCP;Capryl o-phthalate;Bis(2-octyl)phthalate;dioctan-2-yl benzene-1,2-dicarboxylate;Dioctanol-2-phthalate;Phthalic acid, dicapryl ester;Di(2-octyl) phthalate;Dicapryl 1,2-benzenedicarboxylate;Phthalic acid, bis(1-methylheptyl) ester;Phthalic acid, di-2-octyl ester;NSC 3926;Phthalic acid, bis(2-octyl) ester;EINECS 205-014-2;Di(octan-2-yl) phthalate;BRN 2005093;DM00F2G7X0;BIS(2-OCTYL) PHTHALATE;Bis-(2-oktyl)ester kyseliny ftalove [Czech];NSC-3926;Bis-(2-oktyl)ester kyseliny ftalove;1,2-Benzenedicarboxylic acid, bis(1-methylheptyl) ester;dicaprylphthalate;di-s-octyl phthalate;UNII-DM00F2G7X0;1, bis(1-methylheptyl) ester;SCHEMBL1702480;DTXSID0051655;Dicapryl Phthalate (High Class);Dicapryl Phthalate (First Class);NSC3926;MFCD01941520;AKOS025311146;AS-17716;WLN: 6Y1 & OVR BVOY6 & 1;LS-109330;CS-0444335;A908525;Q27893645;1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylheptyl) ester;1,2-BENZENEDICARBOXYLIC ACID, 1,2-BIS(1-METHYLHEPTYL) ESTER)

Chemical Property of Bis(1-methylheptyl) phthalate

Chemical Property:

• Vapor Pressure: 3.95E-06mmHg at 25°C
• Refractive Index: 1.488
• Boiling Point: 384.93 °C at 760 mmHg
• Flash Point: 204.529 °C
• PSA: 74.60000
• Density: 0.984 g/cm³
• LogP: 7.81660
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 390.27700969
• Heavy Atom Count: 28
• Complexity: 394

Purity/Quality:

99% ^*data from raw suppliers

DisecoctylPhthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)CCCCCC

Technology Process of Bis(1-methylheptyl) phthalate

There total 3 articles about Bis(1-methylheptyl) 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:

benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5) + 2-bromooctane (557-35-7,60251-57-2) → 1,2-phthalate-di-sec-octyl (131-15-7,64535-98-4,64535-97-3)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; Yield given. Multistep reaction; 1.) 60 deg C, 0.1 Torr, 6 h, 2.) 85 deg C, 24 h;

DOI:10.1055/s-1985-31098

Reference yield:

phthalic anhydride (85-44-9) + rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) → 1,2-phthalate-di-sec-octyl (131-15-7,64535-98-4,64535-97-3)

Guidance literature:

With toluene-4-sulfonic acid;

Reference yield:

→ 1,2-phthalate-di-sec-octyl (131-15-7,64535-98-4,64535-97-3)

Guidance literature:

2-Octyl-phthalat, 1-Octen;

upstream raw materials:

phthalic anhydride

rac-octan-2-ol

benzene-1,2-dicarboxylic acid

2-bromooctane

Refernces

• 1、 Barry, J.,Bram, G.,Decodts, G.,Loupy, A.,Orange, C.,et al.. "Solid-Liquid Phase-Transfer Catalysis without Added Solvent. A Simple, Efficient, and Inexpensive Synthesis of Aromatic Carboxylic Esters by Alkylation of Potassium Carboxylates". . p. 40 - 45. Retrieved 2007/10/02.