Isopropyl 2-phenoxyisobutyrate

Base Information

• Chemical Name: Isopropyl 2-phenoxyisobutyrate
• CAS No.: 72575-86-1
• Molecular Formula: C13H18 O3
• Molecular Weight: 222.28022
• European Community (EC) Number: 276-718-5
• DSSTox Substance ID: DTXSID00993428
• Nikkaji Number: J296.326D
• Wikidata: Q82984093
• Mol file: 72575-86-1.mol

Synonyms:Isopropyl 2-phenoxyisobutyrate;72575-86-1;EINECS 276-718-5;propan-2-yl 2-methyl-2-phenoxypropanoate;DTXSID00993428;2-Methyl-2-phenoxypropionic acid 1-methylethyl ester

Chemical Property of Isopropyl 2-phenoxyisobutyrate

Chemical Property:

• Vapor Pressure: 0.00304mmHg at 25°C
• Boiling Point: 284.1°C at 760 mmHg
• Flash Point: 114.4°C
• PSA: 35.53000
• Density: 1.027g/cm³
• LogP: 2.79560
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)C(C)(C)OC1=CC=CC=C1

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