2-(2-Hydroxyethoxy)ethyl benzoate

Base Information

• Chemical Name: 2-(2-Hydroxyethoxy)ethyl benzoate
• CAS No.: 20587-61-5
• Molecular Formula: C11H14O4
• Molecular Weight: 210.23
• Hs Code.: 2916310090
• European Community (EC) Number: 243-895-5
• NSC Number: 71576
• UNII: U8NT2B98P1
• DSSTox Substance ID: DTXSID6041921
• Nikkaji Number: J48.627B
• Wikidata: Q27290899
• Mol file: 20587-61-5.mol

Synonyms:2-(2-Hydroxyethoxy)ethyl benzoate;20587-61-5;Diethylene glycol monobenzoate;Ethanol, 2-[2-(benzoyloxy)ethoxy]-;Diethylene glycol benzoate;Ethanol, 2,2'-oxybis-, monobenzoate;Ethanol, 2-(2-(benzoyloxy)ethoxy)-;EINECS 243-895-5;NSC 71576;UNII-U8NT2B98P1;AI3-13034;U8NT2B98P1;NSC-71576;Diethylene glycol, monobenzoate;NCIOpen2_003520;SCHEMBL818564;DTXSID6041921;2-(2-Hydroxyethoxy)ethylbenzoate;Ethanol,2'-oxybis-, monobenzoate;NSC71576;3-Oxa-1,5-pentanediol 1-benzoate;Ethanol,2-[2-(benzoyloxy)ethoxy]-;MFCD18967761;AKOS024257968;AS-61629;LS-181644;Q27290899;2,2-(Benzoyloxy)ethoxy-ethanol

Chemical Property of 2-(2-Hydroxyethoxy)ethyl benzoate

Chemical Property:

• Vapor Pressure: 0.000176mmHg at 25°C
• Boiling Point: 316.2°C at 760 mmHg
• PKA: 14.34±0.10(Predicted)
• Flash Point: 118.8°C
• PSA: 55.76000
• Density: 1.163g/cm³
• LogP: 0.85230
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

99%, ^*data from raw suppliers

2-(2-Hydroxyethoxy)ethylbenzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCOCCO
• Uses: 2-?(2-?Hydroxyethoxy)?ethyl Benzoate is a degradation product of dibenzoate plasticizers

Technology Process of 2-(2-Hydroxyethoxy)ethyl benzoate

There total 11 articles about 2-(2-Hydroxyethoxy)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: 99.5%

benzoic acid (65-85-0,8013-63-6) + diethylene glycol (111-46-6) → diethylene glycol benzoate (20587-61-5)

Guidance literature:

With titanium(IV) isopropylate; In 5,5-dimethyl-1,3-cyclohexadiene; at 200 - 240 ℃; for 4h; under 37.5038 - 750.075 Torr; Pressure; Solvent;

Reference yield: 92.0%

benzoic acid 2-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-ethyl ester → diethylene glycol benzoate (20587-61-5)

Guidance literature:

With tetra-N-butylammonium tribromide; In methanol; at 20 ℃; for 0.16h;

DOI:10.1016/S0040-4039(01)01599-4

Reference yield: 80.0%

benzoyl chloride (98-88-4) + diethylene glycol (111-46-6) → diethylene glycol benzoate (20587-61-5)

Guidance literature:

With triethylamine; In diethyl ether; at 0 ℃; for 4h;

DOI:10.1016/j.jfluchem.2020.109456

upstream raw materials:

benzoyl chloride

diethylene glycol

benzoic acid

4-benzoyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester

Downstream raw materials:

2-(2-chloroethoxy)ethyl benzoate

Succinic acid mono-[2-(2-benzoyloxy-ethoxy)-ethyl] ester

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

2-<(2-amino-3,4-dihydro-4-oxoimidazo<5,1-f>-1,2,4-triazin-7-yl)methoxy>ethanol benzoate

Refernces

• 1、 Filatov, Andrey A.,Kremlev, Mikhail M.,Mushta, Oleksii ?.,Yagupolskii, Yurii L.. "Reaction of substituted phenols and alcohols with (E)-1-chloro-3,3,3-trifluoropropene (HFCO-1233zd)". . . Retrieved 2020/02/11.
• 2、 Cheng, Hui-Hui,Gao, Hui,Li, Pin-Hua,Shen, Hui-Zhi,Wang, Pei-Long. "Electrochemical esterification reaction of alkynes with diols: Via cleavage of carbon-carbon triple bonds without catalyst and oxidant". supporting information. p. 6783 - 6791. Retrieved 2020/11/09.