2-Chloroethyl acetate

Base Information

• Chemical Name: 2-Chloroethyl acetate
• CAS No.: 542-58-5
• Molecular Formula: C4H7 Cl O2
• Molecular Weight: 122.551
• Hs Code.: 2915390090
• European Community (EC) Number: 208-820-2
• NSC Number: 77374
• UNII: 8D17ZAW6MQ
• DSSTox Substance ID: DTXSID40878740
• Nikkaji Number: J421I
• Wikidata: Q72449970
• Metabolomics Workbench ID: 130074
• ChEMBL ID: CHEMBL296237
• Mol file: 542-58-5.mol

Synonyms:2-Chloroethyl acetate;542-58-5;Acetic Acid 2-Chloroethyl Ester;2-Acetoxyethyl chloride;1-Acetoxy-2-chloroethane;2-Acetoxy-1-chloroethane;2-Chloroethanol acetate;2-Chloroethyl ethanoate;beta-Chloroethyl acetate;Ethanol, 2-chloro-, acetate;Acetoxyethyl chloride;2-Chlorethylacetat;Chloroethyl acetate;Acetic acid, 2-chloroethyl ester;chloroethylacetate;.beta.-Chloroethyl acetate;2-Chlorethylacetat [German];NSC 77374;2-Chloroethylacetate;Ethanol, 2-chloro-, 1-acetate;EINECS 208-820-2;BRN 1743107;8D17ZAW6MQ;AI3-15314;NSC-77374;ACETICACID2-CHLOROETHYLESTER;3-chlorobutanoate;2-chloro ethyl acetate;Acetic acid 2-chloroethyl;CH3C(O)OCH2CH2Cl;UNII-8D17ZAW6MQ;NCIOpen2_000768;SCHEMBL202742;CHEMBL296237;Acetic acid 2-chloro-ethyl ester;DTXSID40878740;2-Chloroethyl acetate, AldrichCPR;2-Chloroethyl ester of acetic acid;NSC77374;Acetic acid .beta.-chloroethyl ester;MFCD00018963;AKOS006229567;CS-W011190;.BETA.-CHLOROETHYL ACETATE [MI];AS-81511;LS-66554;A0027;FT-0632352;D88201;EN300-7577302;A870506

Chemical Property of 2-Chloroethyl acetate

Chemical Property:

• Vapor Pressure: 4.77mmHg at 25°C
• Refractive Index: 1.4220-1.4250
• Boiling Point: 145°C
• Flash Point: 54°C
• PSA: 26.30000
• Density: 1,16 g/cm3
• LogP: 0.78830
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Insoluble in water
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 122.0134572
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

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

2-Chloroethyl Acetate >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 10-23/24/25:
• Hazard Codes: T+
• Statements: 10-23/24/25-26/27/28
• Safety Statements: 26-36/37/39-45-36/37-28

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCCl
• Uses: Gasoline additive, Henderson, US 3179506 (1965 to Shell).

Technology Process of 2-Chloroethyl acetate

There total 50 articles about 2-Chloroethyl 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: 85.0%

acetic anhydride (108-24-7) + 2-chloro-ethanol (107-07-3) → 2-chloro-1-acetoxyethane (542-58-5)

Guidance literature:

With [MeS(CH₂)₃]₂SnCl₂; at 20 ℃; for 24h; Schlenk technique;

DOI:10.1016/j.ica.2017.05.026

Reference yield: 81.0%

acetic acid (64-19-7,77671-22-8) + 2-chloro-ethanol (107-07-3) → 2-chloro-1-acetoxyethane (542-58-5)

Guidance literature:

With KU-2 cation exchanger; In benzene; Reflux;

DOI:10.1134/S1070428013020048

Reference yield: 80.0%

acetyl iodide (507-02-8) + 2-chloro-ethanol (107-07-3) → 2-chloro-1-acetoxyethane (542-58-5)

Guidance literature:

at 100 ℃; for 1.5h;

DOI:10.1023/A:1022593513898

upstream raw materials:

oxirane

acetyl chloride

1,4-dioxane

sulfuric acid bis-(2-chloroethyl) ester

Downstream raw materials:

1-acetoxy-2-salicyloyloxy-ethane

oxirane

chloroethylene

acetic acid

Refernces

• 1、 Cao, Jin,Qi, Bin,Liu, Jun,Shang, Yuhan,Liu, Huiwen,Wang, Wenjing,Lv, Jia,Chen, Zhiyan,Zhang, Haibo,Zhou, Xiaohai. "Deep eutectic solvent choline chloride·2CrCl3·6H2O: An efficient catalyst for esterification of formic and acetic acid at room temperature". . p. 21612 - 21616. Retrieved 2016/03/08.
• 2、 Kon, Yoshihiro,Tanaka, Shinji,Nakashima, Takuya,Sato, Kazuhiko,Shimada, Hiromichi. "Chemoselective palladium-catalyzed oxidation of vinyl ether to acetate using hydrogen peroxide". . p. 749 - 756. Retrieved 2014/07/22.