Octyl hydrogen phthalate

Base Information

• Chemical Name: Octyl hydrogen phthalate
• CAS No.: 5393-19-1
• Molecular Formula: C16H22O4
• Molecular Weight: 278.348
• Hs Code.: 2918990090
• European Community (EC) Number: 226-398-8
• NSC Number: 4639
• UNII: 9KSH93UAM4
• DSSTox Substance ID: DTXSID4052714
• Nikkaji Number: J25.907A
• Wikidata: Q27225611
• Metabolomics Workbench ID: 74843
• Mol file: 5393-19-1.mol

Synonyms:MNOP;mono-n-octyl phthalate

Chemical Property of Octyl hydrogen phthalate

Chemical Property:

• Vapor Pressure: 1.31E-07mmHg at 25°C
• Boiling Point: 414.4°C at 760 mmHg
• Flash Point: 146.5°C
• PSA: 63.60000
• Density: 1.089g/cm³
• LogP: 3.90210
• Storage Temp.: Refrigerator
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 278.15180918
• Heavy Atom Count: 20
• Complexity: 301

Purity/Quality:

99%, ^*data from raw suppliers

MonooctylPhthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Octyl hydrogen phthalate

There total 5 articles about Octyl 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: 54.0%

phthalic anhydride (85-44-9) + octanol (111-87-5) → Di-n-octyl phthalate (117-84-0,8031-29-6) + Mono-n-octyl phthalate (5393-19-1)

Guidance literature:

With montmorillonite K-10; In tetrachloromethane; at 76 ℃; for 12h;

Reference yield:

phthalic anhydride (85-44-9) + octanol (111-87-5) → Mono-n-octyl phthalate (5393-19-1)

Guidance literature:

at 100 - 110 ℃;

DOI:10.1021/ja01265a094

Reference yield:

phthalic anhydride (85-44-9) → Mono-n-octyl phthalate (5393-19-1)

Guidance literature:

upstream raw materials:

phthalic anhydride

octanol

Di-n-octyl phthalate

Downstream raw materials:

phthalic acid octyl ester-vinyl ester

Refernces

• 1、 Scholz, Norbert. "Ecotoxicity and biodegradation of phthalate monoesters". . p. 921 - 926. Retrieved 2007/10/03.
• 2、 Suzuki,Yaguchi,Suzuki,Suga. "Monitoring of phthalic acid monoesters in river water by solid-phase extraction and GC-MS determination". . p. 3757 - 3763. Retrieved 2007/10/03.