2-(2-(1-Hydroxyethyl)hexoxycarbonyl)benzoic acid

Base Information

• Chemical Name: 2-(2-(1-Hydroxyethyl)hexoxycarbonyl)benzoic acid
• CAS No.: 88144-76-7
• Molecular Formula: C16H22 O5
• Molecular Weight: 294.3429
• DSSTox Substance ID: DTXSID001007960
• Mol file: 88144-76-7.mol

Synonyms:88144-76-7;2-(2-(1-Hydroxyethyl)hexoxycarbonyl)benzoic acid;2-[2-(1-hydroxyethyl)hexoxycarbonyl]benzoic Acid;1,2-Benzenedicarboxylicacid, 1-[2-(1-hydroxyethyl)hexyl] ester;Mono(2-(1-hydroxyethyl)hexyl) Phthalate;DTXSID001007960;2-({[2-(1-hydroxyethyl)hexyl]oxy}carbonyl)benzoic acid

Chemical Property of 2-(2-(1-Hydroxyethyl)hexoxycarbonyl)benzoic acid

Chemical Property:

• Vapor Pressure: 1.04E-09mmHg at 25°C
• Boiling Point: 471.9°C at 760 mmHg
• Flash Point: 170.1°C
• PSA: 83.83000
• Density: 1.16g/cm³
• LogP: 2.72880
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 294.14672380
• Heavy Atom Count: 21
• Complexity: 342

Purity/Quality:

Mono(2-?(1-?hydroxyethyl)?hexyl)Phthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(COC(=O)C1=CC=CC=C1C(=O)O)C(C)O
• Uses: Mono(2-(1-hydroxyethyl)hexyl) Phthalate is a metabolite from DEHP (B433850), a plasticizer that is used to impart softness and flexibility to PVC products. DEHP has been implicated in obesity and insulin resistance. It inhibits prostaglandin synthesis and adversely affects the endocrine system.