2-[2-(2-Hydroxyethoxy)ethoxy]ethyl benzoate

Base Information

• Chemical Name: 2-[2-(2-Hydroxyethoxy)ethoxy]ethyl benzoate
• CAS No.: 23022-51-7
• Molecular Formula: C13H18 O5
• Molecular Weight: 254.283
• Hs Code.: 2916310090
• European Community (EC) Number: 245-383-7
• DSSTox Substance ID: DTXSID50177579
• Nikkaji Number: J318.384J
• Wikidata: Q83047900
• Mol file: 23022-51-7.mol

Synonyms:2-[2-(2-hydroxyethoxy)ethoxy]ethyl benzoate;23022-51-7;2-(2-(2-Hydroxyethoxy)ethoxy)ethyl benzoate;EINECS 245-383-7;SCHEMBL2442856;DTXSID50177579;Ethanol, 2-(2-(2-(benzoyloxy)ethoxy)ethoxy)-;Benzoic acid 8-hydroxy-3,6-dioxaoctane-1-yl ester

Chemical Property of 2-[2-(2-Hydroxyethoxy)ethoxy]ethyl benzoate

Chemical Property:

• Vapor Pressure: 4.87E-06mmHg at 25°C
• Boiling Point: 367.2°Cat760mmHg
• Flash Point: 133.3°C
• PSA: 64.99000
• Density: 1.155g/cm³
• LogP: 0.86890
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 254.11542367
• Heavy Atom Count: 18
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCOCCOCCO

Technology Process of 2-[2-(2-Hydroxyethoxy)ethoxy]ethyl benzoate

There total 3 articles about 2-[2-(2-Hydroxyethoxy)ethoxy]ethyl benzoate 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: 87.0%

benzoic acid (65-85-0,8013-63-6) + 2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → 2-(2-(2-hydroxyethoxy)ethoxy)ethyl benzoate (23022-51-7)

Guidance literature:

With aluminum oxide; methanesulfonic acid; at 80 ℃; for 1h;

DOI:10.1016/S0040-4020(03)00518-0

Reference yield: 80.0%

benzoyl chloride (98-88-4) + 2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → 2-(2-(2-hydroxyethoxy)ethoxy)ethyl benzoate (23022-51-7)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 25h; Inert atmosphere;

DOI:10.1002/ejoc.201800380

Reference yield:

→ 2-(2-(2-hydroxyethoxy)ethoxy)ethyl benzoate (23022-51-7)

Guidance literature:

Benzoesaeure, Triethylenglykol;

upstream raw materials:

benzoyl chloride

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

benzoic acid

Downstream raw materials:

benzoic acid 2-[2-(2-bromo-ethoxy)-ethoxy]-ethyl ester

Benzoic acid 2-[2-([1,3]dioxolan-2-ylmethoxy)-ethoxy]-ethyl ester

Acetic acid (2R,3R,4R,5S,6S)-4,5-bis-benzyloxy-2-{2-[2-([1,3]dioxolan-2-ylmethoxy)-ethoxy]-ethoxy}-6-methyl-tetrahydro-pyran-3-yl ester

(S)-2-((S)-2-tert-butoxycarbonylaminothiopropionylamino)succinic acid 4-{2-[2-(2-benzoyloxyethoxy)ethoxy]ethyl} ester 1-tert-butyl ester

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