Hexadecyl hydrogen phthalate

Base Information

• Chemical Name: Hexadecyl hydrogen phthalate
• CAS No.: 51834-16-3
• Molecular Formula: C24H38O4
• Molecular Weight: 390.563
• Hs Code.: 2918990090
• European Community (EC) Number: 257-463-9
• DSSTox Substance ID: DTXSID50199796
• Nikkaji Number: J25.896B
• Wikidata: Q83072775
• Mol file: 51834-16-3.mol

Synonyms:Hexadecyl hydrogen phthalate;51834-16-3;EINECS 257-463-9;2-((Hexadecyloxy)carbonyl)benzoic acid;SCHEMBL339896;Phthalic acid 1-hexadecyl ester;DTXSID50199796

Chemical Property of Hexadecyl hydrogen phthalate

Chemical Property:

• Vapor Pressure: 2.37E-11mmHg at 25°C
• Refractive Index: 1.502
• Boiling Point: 513.1 °C at 760 mmHg
• Flash Point: 164.2 °C
• PSA: 63.60000
• Density: 1.008 g/cm³
• LogP: 7.02290
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 390.27700969
• Heavy Atom Count: 28
• Complexity: 407

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O

Technology Process of Hexadecyl hydrogen phthalate

There total 2 articles about Hexadecyl hydrogen 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:

phthalic anhydride (85-44-9) + 1-Hexadecanol (36653-82-4,124-29-8) → mono-hexadecyl ortho-phthalate (51834-16-3)

Guidance literature:

Reference yield:

→ mono-hexadecyl ortho-phthalate (51834-16-3)

Guidance literature:

Phthalsaeureanhydrid, n-Hexadecanol, 110-115grad (S.262);

Reference yield:

mono-hexadecyl ortho-phthalate (51834-16-3) + zinc(II) acetate dihydrate (5970-45-6) → zinc monohexadecyl phthalate

Guidance literature:

With sodium carbonate; In water; ligand dissolved into Na2CO3 soln., soln. of Zn acetate added slowly under stirring, stirred for 1 h; filtered, washed with ethanol and water, dried; elem. anal., XRD;

DOI:10.1016/j.susc.2007.05.063

upstream raw materials:

phthalic anhydride

1-Hexadecanol

Refernces