Monoheptyl phthalate

Base Information

• Chemical Name: Monoheptyl phthalate
• CAS No.: 24539-58-0
• Molecular Formula: C15H20O4
• Molecular Weight: 264.321
• Hs Code.: 2918990090
• European Community (EC) Number: 272-737-8
• DSSTox Substance ID: DTXSID00947421
• Nikkaji Number: J25.894F
• Wikidata: Q82925217
• Metabolomics Workbench ID: 156013
• Mol file: 24539-58-0.mol

Synonyms:monoheptyl phthalate;24539-58-0;2-heptoxycarbonylbenzoic acid;2-[(heptyloxy)carbonyl]benzoic acid;Phthalic acid mono-n-heptyl ester;2-(Heptyloxycarbonyl)benzoic acid;68910-41-8;AI3-06033;1,2-Benzenedicarboxylic acid, monoheptyl ester;1,2-Benzenedicarboxylic, monoheptyl ester;Heptyl hydrogen phthalate;Phthalic acid 1-heptyl ester;SCHEMBL301579;Phthalic acid, monoheptyl ester;DTXSID00947421;EINECS 272-737-8;1,2-Benzenedicarboxylicacid,1-heptyl ester

Chemical Property of Monoheptyl phthalate

Chemical Property:

• Vapor Pressure: 3.59E-07mmHg at 25°C
• Refractive Index: 1.521
• Boiling Point: 401.6 & #176;C at 760mmHg
• PKA: 3.38±0.36(Predicted)
• Flash Point: 144.3 °C
• PSA: 63.60000
• Density: 1.106 g/cm³
• LogP: 3.51200
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 264.13615911
• Heavy Atom Count: 19
• Complexity: 288

Purity/Quality:

98%min ^*data from raw suppliers

MonoheptylPhthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: CCCCCCCOC(=O)C1=CC=CC=C1C(=O)O
• Uses: Monoheptyl Phthalate is a phthalate monoester and the metabolite of Dibutyl Phthalate (D429495), a phthalate metabolite with genotoxic effect.

Technology Process of Monoheptyl phthalate

There total 1 articles about Monoheptyl 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) + n-heptan1ol (111-70-6) → phthalic acid monoheptyl ester (24539-58-0)

Guidance literature:

at 100 - 110 ℃;

DOI:10.1021/ja01265a094

upstream raw materials:

phthalic anhydride

n-heptan1ol