Aconitic acid, triallyl ester

Base Information

• Chemical Name: Aconitic acid, triallyl ester
• CAS No.: 13675-27-9
• Molecular Formula: C₁₅H₁₈O₆
• Molecular Weight: 294.304
• Hs Code.: 2917190090
• NSC Number: 19172
• Wikidata: Q76304799
• Mol file: 13675-27-9.mol

Synonyms:ACONITIC ACID, TRIALLYL ESTER;tris(prop-2-enyl) (Z)-prop-1-ene-1,2,3-tricarboxylate;NSC 19172;13675-27-9;BRN 1714743;1-Propene-1,2,3-tricarboxylic acid, triallyl ester;4-02-00-02407 (Beilstein Handbook Reference);NSC19172;NSC-19172;AKOS015913981;WLN: 1U2OV1YVO2U1&U1VO2U1;1-Propene-1,3-tricarboxylic acid, triallyl ester

Chemical Property of Aconitic acid, triallyl ester

Chemical Property:

• Vapor Pressure: 4.34E-06mmHg at 25°C
• Refractive Index: 1.4359 (estimate)
• Boiling Point: 108ºC 0,1mm
• Flash Point: 166.7°C
• PSA: 78.90000
• Density: 1.109g/cm³
• LogP: 1.49050
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 294.11033829
• Heavy Atom Count: 21
• Complexity: 447

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC(=O)CC(=CC(=O)OCC=C)C(=O)OCC=C
• Isomeric SMILES: C=CCOC(=O)C/C(=C/C(=O)OCC=C)/C(=O)OCC=C

Technology Process of Aconitic acid, triallyl ester

There total 1 articles about Aconitic acid, triallyl ester 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:

allyl alcohol (107-18-6) → propene-1c,2,3-tricarboxylic acid triallyl ester (13675-27-9)

Guidance literature:

With sulfuric acid; toluene; Entfernen des gebildeten Wassers;

upstream raw materials:

allyl alcohol