Octan-2-yl 2-cyanoacetate

Base Information

• Chemical Name: Octan-2-yl 2-cyanoacetate
• CAS No.: 52688-08-1
• Molecular Formula: C11H19NO2
• Molecular Weight: 197.277
• Hs Code.: 2926909090
• European Community (EC) Number: 610-886-6
• DSSTox Substance ID: DTXSID20967126
• Mol file: 52688-08-1.mol

Synonyms:octan-2-yl 2-cyanoacetate;52688-08-1;2-Octyl cyanoacetate;Cyanoacetic acid 1-methylheptyl ester;Acetic acid, cyano-, 1-methylheptyl ester;EC 610-886-6;Octan-2-yl cyanoacetate;octan-2-yl2-cyanoacetate;2-OCTYLCYANOACETATE;1-Methylheptyl cyanoacetate;SCHEMBL2424838;DTXSID20967126;BCP26672;MFCD00236390;AKOS006273072;AS-12633;Acetic acid, 2-cyano-,1-methylheptyl ester;CS-0152305;FT-0613247;A15621;F11446

Chemical Property of Octan-2-yl 2-cyanoacetate

Chemical Property:

• Vapor Pressure: 0.0361mmHg at 25°C
• Refractive Index: 1.44
• Boiling Point: 241.4 °C at 760 mmHg
• PKA: 2.94±0.10(Predicted)
• Flash Point: 105.4 °C
• PSA: 50.09000
• Density: 0.951 g/cm³
• LogP: 2.80218
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 197.141578849
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

99.0%min ^*data from raw suppliers

Octan-2-yl2-Cyanoacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)OC(=O)CC#N
• Uses: 2-octyl cyanoacrylate is one of the most commonly used, commercially-available wound adhesives. Current indications include all easily approximated wounds from surgical incisions or properly cleaned lacerations from trauma in areas that are dry and have minimal friction. It additionally was approved for use in combination with subcuticular sutures for deeper or higher tension wounds.

Technology Process of Octan-2-yl 2-cyanoacetate

There total 2 articles about Octan-2-yl 2-cyanoacetate 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:

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + cyanoacetic acid (372-09-8) → 2-octyl cyanoacetate (52688-08-1)

Guidance literature:

sulfuric acid; In water; toluene;

Reference yield:

→ 2-octyl cyanoacetate (52688-08-1)

Guidance literature:

NC-CH2-CO2CH3, CH3-CHOH-(CH2)5-CH3;

Reference yield: 83.0%

diacetoxymethane (628-51-3,25231-38-3) + 2-octyl cyanoacetate (52688-08-1) → 2-octyl α-cyanoacrylate (133978-15-1)

Guidance literature:

With N,N-dimethylmethyleneammonium ion; dodecylbenzene-sulphonic acid; at 120 - 130 ℃; for 2h;

upstream raw materials:

rac-octan-2-ol

cyanoacetic acid

Downstream raw materials:

2-octyl α-cyanoacrylate

Refernces