2-Phenoxyethyl acetate

Base Information

• Chemical Name: 2-Phenoxyethyl acetate
• CAS No.: 6192-44-5
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2915390090
• NSC Number: 6554
• UNII: GCC4DJI6TL
• DSSTox Substance ID: DTXSID30863706
• Nikkaji Number: J44.191K
• Wikidata: Q27279032
• Mol file: 6192-44-5.mol

Synonyms:2-Phenoxyethyl acetate;6192-44-5;Acetic acid 2-phenoxyethyl ester;Phenoxyethyl acetate;2-Phenoxyethanol acetate;Ethylene glycol phenyl ether acetate;ETHANOL, 2-PHENOXY-, ACETATE;beta-Phenoxyethyl acetate;Ethylene glycol monophenyl ether acetate;Aceticacidphenoxyethylester;2-Phenoxyethylester kyseliny octove;GCC4DJI6TL;UNII-GCC4DJI6TL;NSC 6554;BRN 2050426;AI3-02145;2-Phenoxyethylester kyseliny octove [Czech];acetic acid 2-phenoxy-ethyl ester;NSC-6554;4-06-00-00575 (Beilstein Handbook Reference);ACETICACID2-PHENOXYETHYLESTER;WLN: 1VO2OR;SCHEMBL144171;Acetic acid,2-phenoxyethyl ester;DTXSID30863706;NSC6554;1-ACETOXY-2-PHENOXYETHANE;.BETA.-PHENOXYETHYL ACETATE;MFCD00059336;Acetic acid .beta.-phenoxyethyl ester;2-PHENOXYETHANOL ACETATE [MI];AKOS006229952;CS-W017210;GS-6870;LS-67007;A0935;FT-0613282;H10047;Q27279032

Chemical Property of 2-Phenoxyethyl acetate

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.0318mmHg at 25°C
• Refractive Index: 1.495
• Boiling Point: 243.638 °C at 760 mmHg
• Flash Point: 95.263 °C
• PSA: 35.53000
• Density: 1.083 g/cm³
• LogP: 1.62850
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Phenoxyethyl Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Phenoxyethyl acetate

There total 16 articles about 2-Phenoxyethyl acetate 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: 96.0%

2-Phenoxyethanol (122-99-6,56257-90-0,9004-78-8) + acetic acid (64-19-7,77671-22-8) → 2-phenoxyethyl acetate (6192-44-5)

Guidance literature:

With nickel oxinate; In neat (no solvent); at 70 ℃;

DOI:10.1039/d0gc00520g

Reference yield: 95.0%

sodium acetate (127-09-3) + phenoxyethyl bromide (589-10-6) → 2-phenoxyethyl acetate (6192-44-5)

Guidance literature:

With 1,3-dimethylimidazolinium methanesulfonate; at 90 ℃; for 0.5h;

DOI:10.1016/S0040-4039(03)00179-5

Reference yield: 87.0%

2-Phenoxyethanol (122-99-6,56257-90-0,9004-78-8) + acetic anhydride (108-24-7) → 2-phenoxyethyl acetate (6192-44-5)

Guidance literature:

With pyridine; at 20 ℃; for 12h;

DOI:10.1039/d0nj04321d

upstream raw materials:

2-Phenoxyethanol

Acetyl bromide

1-ethyl-4-phenylethylene glycol

[(2-phenoxyethoxy)methyl]benzene

Downstream raw materials:

1-acetoxy-2-(4-phenylacetylphenoxy)ethane

1-(4-Methylphenyl)-3-<4-(2-acetoxyethoxy)phenyl>propan-1-one

1-acetoxy-2-(4-benzoylphenoxy)ethane

1-acetoxy-2-(4-acetylphenoxy)ethane

Refernces

• 1、 Sonawane, Rahul B.,Sonawane, Swapnali R.,Rasal, Nishant K.,Jagtap, Sangeeta V.. "Chemoselective: O -formyl and O -acyl protection of alkanolamines, phenoxyethanols and alcohols catalyzed by nickel(ii) and copper(ii)-catalysts". supporting information. p. 3186 - 3195. Retrieved 2020/06/19.
• 2、 Lafuente, Leticia,Díaz, Gisela,Bravo, Rodolfo,Ponzinibbio, Agustín. "Efficient and selective N-, S- and O-acetylation in TEAA ionic liquid as green solvent. Applications in synthetic carbohydrate chemistry". . p. 195 - 200. Retrieved 2016/02/26.