2-Phenoxyethyl isobutyrate

Base Information

• Chemical Name: 2-Phenoxyethyl isobutyrate
• CAS No.: 103-60-6
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• Hs Code.: 2915900090
• European Community (EC) Number: 203-127-1
• NSC Number: 406209,227210
• UNII: 43ENB1627Z
• DSSTox Substance ID: DTXSID7042279
• Nikkaji Number: J182.167I
• Wikidata: Q27258647
• Metabolomics Workbench ID: 48911
• ChEMBL ID: CHEMBL3182892
• Mol file: 103-60-6.mol

Synonyms:2-phenoxyethyl isobutyrate

Chemical Property of 2-Phenoxyethyl isobutyrate

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Refractive Index: n20/D 1.493(lit.)
• Boiling Point: 273.762 °C at 760 mmHg
• Flash Point: 109.495 °C
• PSA: 35.53000
• Density: 1.042 g/cm³
• LogP: 2.26460
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 196mg/L at 20℃
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

2-Phenoxyethyl Isobutyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)OCCOC1=CC=CC=C1
• Uses: 2-Phenoxyethyl isobutyrate is a member of the fragrance structural group Aryl Alkyl Alcohol Simple Acid Esters

Technology Process of 2-Phenoxyethyl isobutyrate

There total 1 articles about 2-Phenoxyethyl isobutyrate 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:

→ 2-phenoxyethyl isobutyrate (103-60-6)

Guidance literature:

/BRN= 2214059/;