Octyl cyanoacetate product
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Octyl cyanoacetate

Octyl cyanoacetate Structure
CAS No. 15666-97-4
Chemical Name:        Octyl cyanoacetate
Synonyms:        OCTYL CYANOACETATE;octyl 2-cyanoacetate;N-OCTYL CYANOACETATE;Octyl cyanoacetate 99%;n-Octyl cyanoacetate ,96%;n-Octyl cyanoacetate ,98%;n-Octyl cyanoacetate ,99%
CBNumber:        CB7395972
Molecular Formula: C11H19NO2
Formula Weight:        197.27
MOL File:        15666-97-4.mol
Octyl cyanoacetate Property
bp :                95 ¡ãC0.11 mm Hg(lit.)
density :        0.934 g/mL at 25 ¡ãC(lit.)
refractive index : n20/D 1.449(lit.)
Fp :                >230 ¡ãF
Safety
Hazard Codes :        Xn
Risk Statements : 20/21/22-36/37/38
Safety Statements : 26-37/39
RIDADR :        2810
WGK Germany :        3
HazardClass :        6.(b)
PackingGroup :        III
The Octyl cyanoacetate with the CAS number 15666-97-4 is also called Acetic acid, 2-cyano-,octyl ester. The IUPAC name is octyl 2-cyanoacetate. Its molecular formula is C11H19NO2. This chemical belongs to the following product categories: 
(1)C10 to C11; 
(2)Carbonyl Compounds; (3)Esters.
The properties of the Octyl cyanoacetate are: 
(1)ACD/LogP: 3.25; 
(2)# of Rule of 5 Violations: 0; 
(3)ACD/LogD (pH 5.5): 1.11; 
(4)ACD/LogD (pH 7.4): 0.76; 
(5)ACD/BCF (pH 5.5): 1.25; 
(6)ACD/BCF (pH 7.4): 1; 
(7)ACD/KOC (pH 5.5): 10.02; 
(8)ACD/KOC (pH 7.4): 4.48; 
(9)#H bond acceptors: 3; 
(10)#H bond donors: 0; 
(11)#Freely Rotating Bonds: 9; 
(12)Polar Surface Area: 50.09 Å2; 
(13)Index of Refraction: 1.441; 
(14)Molar Refractivity: 54.69 cm3; 
(15)Molar Volume: 206.9 cm3; 
(16)Polarizability: 21.68¡Á10-24cm3; 
(17)Surface Tension: 34.8 dyne/cm; 
(18)Enthalpy of Vaporization: 56.57 kJ/mol; 
(19)Vapour Pressure: 0.000258 mmHg at 25¡ãC.
Preparation: This chemical can be prepared by the reaction of cyanoacetic acid and octan-1-ol. This reaction needs reagent TsOH*3H2O and solvent benzene at heating condition. The yield is 85%.
Octyl cyanoacetate Uses: This chemical can react with 4-amino-benzaldehyde to prepare 3-(4-amino-phenyl)-2-cyano-acrylic acid octyl ester. This reaction needs reagent piperidine, HOAc and solvent dioxane at heating condition. The yield is 51%.
While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(=O)OCCCCCCCC
(2)InChI: InChI=1/C11H19NO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-8,10H2,1H3
(3)InChIKey: MBCTWXWDQMXVDF-UHFFFAOYAH
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Synchem is an innovative company specializing in contract manufacturing to the pharmaceutical, agrochemical and electrical industries with top quality octyl cyanoacetate products and service.
We integrating internationalized management pattern with local chemical industry resources, and taking innovation as our core competence, mainly provide chemical intermediates for internationally recognized chemical,octyl cyanoacetate and pharmaceutical companies.
We specialize in organometallic reaction-based organic synthesis, highly octyl cyanoacetate effective organic-metal catalysis technology, advanced fluorinating technology, asymmetrical catalysis technology, and. Our special chemicals, typically used as intermediates, are widely applied in making more advanced chemicals, like innovated pharmaceuticals, liquid crystal display materials etc., for improving their performance. To better align with our clients strategically, we also offer our specialty in process design and process development, which result in more efficient and rapid production of specialty chemicals that are incorporated into their own products and thereby enhance the position of our customers.
With our four flexible and responsive manufacturing facilities, we are equipped to produce specialty chemicals in both small batches for development stage projects and in large-scale amounts for commercialized projects, according to our customers¡¯ needs. We believe that our strong research and development capabilities, efficient management of the manufacturing process and proven track record, provide leading chemical solutions for our customers.
 

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