2-Hydroxyethyl cyclohexanecarboxylate

Base Information

• Chemical Name: 2-Hydroxyethyl cyclohexanecarboxylate
• CAS No.: 16179-44-5
• Molecular Formula: C9H16 O3
• Molecular Weight: 172.224
• Hs Code.: 2916209090
• European Community (EC) Number: 240-315-2
• DSSTox Substance ID: DTXSID10167239
• Nikkaji Number: J55.431F
• Wikidata: Q83036567
• Mol file: 16179-44-5.mol

Synonyms:2-hydroxyethyl cyclohexanecarboxylate

Chemical Property of 2-Hydroxyethyl cyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.000172mmHg at 25°C
• Refractive Index: 1.4600 (estimate)
• Boiling Point: 294.2°Cat760mmHg
• PKA: 13.90±0.10(Predicted)
• Flash Point: 124.9°C
• PSA: 46.53000
• Density: 1.089g/cm³
• LogP: 1.10220
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexanecarboxylicacid2-hydroxyethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)OCCO

Technology Process of 2-Hydroxyethyl cyclohexanecarboxylate

There total 3 articles about 2-Hydroxyethyl cyclohexanecarboxylate 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-cyclohexyl-1,3-dioxolane (4362-48-5) → 2-hydroxyethyl cyclohexanecarboxylate (16179-44-5)

Guidance literature:

With sodium hypochlorite; In ethyl acetate; at 20 ℃; for 5h; pH=9.5;

DOI:10.1002/adsc.200303124

Reference yield: 80.0%

ethylene glycol (107-21-1) + Cyclohexanecarboxylic acid (98-89-5) → 2-hydroxyethyl cyclohexanecarboxylate (16179-44-5)

Guidance literature:

With aluminum oxide; methanesulfonic acid; at 80 ℃; for 1.5h;

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

Reference yield:

→ 2-hydroxyethyl cyclohexanecarboxylate (16179-44-5)

Guidance literature:

RCO2H, /BRN= 878139/;

upstream raw materials:

2-cyclohexyl-1,3-dioxolane

ethylene glycol

Cyclohexanecarboxylic acid

Refernces

• 1、 Panchan, Waraporn,Chiampanichayakul, Supanimit,Snyder, Deanna L.,Yodbuntung, Siriporn,Pohmakotr, Manat,Reutrakul, Vichai,Jaipetch, Thaworn,Kuhakarn, Chutima. "Facile oxidative hydrolysis of acetals to esters using hypervalent iodine(III)/LiBr combination in water". experimental part. p. 2732 - 2735. Retrieved 2010/05/17.
• 2、 Sharghi, Hashem,Sarvari, Mona Hosseini. "Al2O3/MeSO3H (AMA) as a new reagent with high selective ability for monoesterification of diols". . p. 3627 - 3633. Retrieved 2007/10/03.