Undecyl hydrogen phthalate

Base Information

• Chemical Name: Undecyl hydrogen phthalate
• CAS No.: 51622-03-8
• Molecular Formula: C19H28 O4
• Molecular Weight: 320.429
• Hs Code.: 2918990090
• European Community (EC) Number: 257-323-7
• DSSTox Substance ID: DTXSID10199570
• Nikkaji Number: J25.917I
• Wikidata: Q83072472
• Mol file: 51622-03-8.mol

Synonyms:Undecyl hydrogen phthalate;51622-03-8;2-undecoxycarbonylbenzoic acid;EINECS 257-323-7;SCHEMBL183761;DTXSID10199570;Phthalic acid hydrogen 1-undecyl ester;1,2-Benzenedicarboxylic acid, monoundecyl ester

Chemical Property of Undecyl hydrogen phthalate

Chemical Property:

• Vapor Pressure: 5.67E-09mmHg at 25°C
• Boiling Point: 452.4°C at 760 mmHg
• PKA: 3.38±0.36(Predicted)
• Flash Point: 153.3°C
• PSA: 63.60000
• Density: 1.05g/cm³
• LogP: 5.07240
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 320.19875937
• Heavy Atom Count: 23
• Complexity: 340

Purity/Quality:

98%Min ^*data from raw suppliers

MonoundecylPhthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O
• Uses: Monoundecyl Phthalate is a phthalate monoesters on gap junctional intercellular communication and peroxisome proliferation in rodent and primate hepatocyte.

Technology Process of Undecyl hydrogen phthalate

There total 2 articles about Undecyl 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) + undecyl alcohol (112-42-5) → phthalic acid monoundecyl ester (51622-03-8)

Guidance literature:

at 110 ℃;

DOI:10.1021/ja01265a094

Reference yield:

→ phthalic acid monoundecyl ester (51622-03-8)

Guidance literature:

Phthalsaeureanhydrid, n-Undecylalkohol;

upstream raw materials:

phthalic anhydride

undecyl alcohol