2-Phenoxyethyl butyrate

Base Information

• Chemical Name: 2-Phenoxyethyl butyrate
• CAS No.: 23511-70-8
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• European Community (EC) Number: 245-705-6
• NSC Number: 403864
• UNII: 9M1F95E6EN
• DSSTox Substance ID: DTXSID5066902
• Nikkaji Number: J141.455K
• Wikidata: Q72501015
• Mol file: 23511-70-8.mol

Synonyms:2-Phenoxyethyl butyrate;23511-70-8;2-phenoxyethyl butanoate;Butanoic acid, 2-phenoxyethyl ester;Butyric acid, 2-phenoxyethyl ester;9M1F95E6EN;EINECS 245-705-6;NSC 403864;NSC-403864;AI3-02110;2-Phenoxyethylbutyrate;UNII-9M1F95E6EN;SCHEMBL3640377;DTXSID5066902;Butyric acid 2-phenoxyethyl ester;NSC403864;AKOS015890740;ETHANOL, 2-PHENOXY-, BUTYRATE;LS-14100

Chemical Property of 2-Phenoxyethyl butyrate

Chemical Property:

• Vapor Pressure: 0.00398mmHg at 25°C
• Refractive Index: 1.492
• Boiling Point: 279.6 ºC at 760 mmHg
• Flash Point: 112.3 ºC
• PSA: 35.53000
• Density: 1.044 g/cm³
• LogP: 2.40870
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

2-Phenoxyethylbutyrate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OCCOC1=CC=CC=C1

Technology Process of 2-Phenoxyethyl butyrate

There total 3 articles about 2-Phenoxyethyl butyrate 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: 100.0%

2-Phenoxyethanol (122-99-6,56257-90-0,9004-78-8) + butyryl chloride (141-75-3) → 2-phenoxyethyl butyrate (23511-70-8)

Guidance literature:

With pyridine;

DOI:10.1021/jo048939g

Reference yield:

potassium phenolate (100-67-4) → 2-phenoxyethyl butyrate (23511-70-8)

Guidance literature:

Reference yield:

→ 2-phenoxyethyl butyrate (23511-70-8)

Guidance literature:

/BRN= 2214059/;

upstream raw materials:

potassium phenolate

2-Phenoxyethanol

butyryl chloride

Refernces