1-Propene-1,2,3-tricarboxylic acid, trihexyl ester

Base Information

• Chemical Name: 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester
• CAS No.: 64617-30-7
• Molecular Formula: C₂₄H₄₂O₆
• Molecular Weight: 426.594
• Wikidata: Q76312267
• Mol file: 64617-30-7.mol

Synonyms:Tri-n-hexyl aconitate;1-Propene-1,2,3-tricarboxylic acid, trihexyl ester;64617-30-7;NSC 2316;LS-123549;cis-propene-1,2,3-tricarboxylic acid trihexyl ester

Chemical Property of 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester

Chemical Property:

• Vapor Pressure: 7.17E-10mmHg at 25°C
• Boiling Point: 493.2°C at 760 mmHg
• Flash Point: 206.7°C
• PSA: 78.90000
• Density: 0.995g/cm³
• LogP: 5.67340
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 22
• Exact Mass: 426.29813906
• Heavy Atom Count: 30
• Complexity: 498

Purity/Quality:

99% ^*data from raw suppliers

TRIHEXYL-1-PROPENE-1,2,3-TRICARBOXYLIC ACID ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)CC(=CC(=O)OCCCCCC)C(=O)OCCCCCC
• Isomeric SMILES: CCCCCCOC(=O)C/C(=C/C(=O)OCCCCCC)/C(=O)OCCCCCC

Technology Process of 1-Propene-1,2,3-tricarboxylic acid, trihexyl ester

There total 1 articles about 1-Propene-1,2,3-tricarboxylic acid, trihexyl 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:

→ Propen-1,2,3-tricarbonsaeure-trihexylester (5331-69-1,64617-30-7)

Guidance literature:

Propen-1,2,3-tricarbonsaeure, Hexanol;

Reference yield:

Propen-1,2,3-tricarbonsaeure-trihexylester (5331-69-1,64617-30-7) → Propan-1,2,3-tricarbonsaeure-trihexylester (38094-13-2)

Guidance literature:

With palladium on activated charcoal; at 150 ℃; Hydrogenation;

Downstream raw materials:

Propan-1,2,3-tricarbonsaeure-trihexylester