2-(Octyloxy)acetic acid

Base Information

• Chemical Name: 2-(Octyloxy)acetic acid
• CAS No.: 63632-58-6
• Molecular Formula: C10H20O3
• Molecular Weight: 188.267
• Hs Code.: 2918990090
• European Community (EC) Number: 848-769-9
• NSC Number: 294114
• UNII: 3V9TB38ZCX
• DSSTox Substance ID: DTXSID40274849
• Wikidata: Q82004325
• Mol file: 63632-58-6.mol

Synonyms:2-(Octyloxy)acetic acid;63632-58-6;2-octoxyacetic acid;(octyloxy)acetic acid;Acetic acid, (octyloxy)-;NSC-294114;3V9TB38ZCX;Acetic acid, 2-(octyloxy)-;Octyloxy-acetic acid;2-(Octyloxy)aceticacid;UNII-3V9TB38ZCX;SCHEMBL1357025;DTXSID40274849;MFCD11196116;NSC294114;AKOS009257397;AS-76546;CS-0147297;EN300-84898;D82573;A1-15244;Z362795602

Chemical Property of 2-(Octyloxy)acetic acid

Chemical Property:

• Vapor Pressure: 0.00021mmHg at 25°C
• Boiling Point: 303.8°Cat760mmHg
• Flash Point: 111.7°C
• PSA: 46.53000
• Density: 0.967g/cm³
• LogP: 2.44810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 123

Purity/Quality:

99.90% ^*data from raw suppliers

2-(octyloxy)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOCC(=O)O

Technology Process of 2-(Octyloxy)acetic acid

There total 11 articles about 2-(Octyloxy)acetic acid 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: 95.0%

octanol (111-87-5) + bromoacetic acid (79-08-3) → 2-(octyloxy)acetic acid (63632-58-6)

Guidance literature:

octanol; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 ℃; for 0.5h; Inert atmosphere;

bromoacetic acid; In tetrahydrofuran; mineral oil; Inert atmosphere; Reflux;

DOI:10.1039/c8cc05843a

Reference yield:

sodium 2-(octyloxy)acetate → 2-(octyloxy)acetic acid (63632-58-6)

Guidance literature:

With hydrogenchloride; In water; ethyl acetate; at 20 ℃; for 1h;

Reference yield:

octanol (111-87-5) + sodium monochloroacetic acid (3926-62-3) → 2-(octyloxy)acetic acid (63632-58-6)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; In tetrahydrofuran; Heating;

DOI:10.1039/b316984g

upstream raw materials:

octyloxy-acetonitrile

sodium octanolate

chloroacetic acid

sodium monochloroacetic acid

Downstream raw materials:

octyl chloromethyl ether

Refernces

• 1、 -. "Donepezil myristyloxymethyl ether or its pharmaceutically acceptable salt". . . Retrieved 2019/10/08.
• 2、 -. "COMPOUND; TAUTOMER AND GEOMETRIC ISOMER THEREOF; SALT OF SAID COMPOUND, TAUTOMER, OR GEOMETRIC ISOMER; METHOD FOR MANUFACTURING SAID COMPOUND, TAUTOMER, ISOMER, OR SALT; ANTIMICROBIAL AGENT; AND ANTI-INFECTIVE DRUG". Paragraph 0151-0154; 0158. . Retrieved 2015/09/23.