ChemicalBook--->CAS DataBase List--->52688-08-1

52688-08-1

52688-08-1 Structure

52688-08-1 Structure
IdentificationBack Directory
[Name]

Cyanoacetic acid 1-methylheptyl ester
[CAS]

52688-08-1
[Synonyms]

2-OCYA
2-cyanodecanoate
2-OCTYL CYANOACETATE
sec-Octyl cyanoacetate
Octan-2-yl 2-cyanoacetate
1-Methylheptyl cyanoacetate
2-OCTYL CYANOACETATE 98.0+%
Cyanoacetic acid isooctyl ester
cyanoacetic acid 1-methylheptyl ester
Acetic acid, cyano-, 1-methylheptyl ester
Acetic acid, 2-cyano-, 1-methylheptyl ester
Cyanoacetic acid 1-methylheptyl ester 52688-08-1
[EINECS(EC#)]

251-228-4
[Molecular Formula]

C11H19NO2
[MDL Number]

MFCD00236390
[MOL File]

52688-08-1.mol
[Molecular Weight]

197.27
Chemical PropertiesBack Directory
[Boiling point ]

241.4±8.0 °C(Predicted)
[density ]

0.951±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

2.94±0.10(Predicted)
[Appearance]

Colorless to light green Liquid
[InChI]

InChI=1S/C11H19NO2/c1-3-4-5-6-7-10(2)14-11(13)8-9-12/h10H,3-8H2,1-2H3
[InChIKey]

UHQCFCZBVFECRZ-UHFFFAOYSA-N
[SMILES]

C(OC(C)CCCCCC)(=O)CC#N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[RIDADR ]

UN3276
[REACH Registrations]

Active
[HazardClass ]

6.1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

DL-2-Octanol-->2-Octanol-->Cyanoacetic acid
Hazard InformationBack Directory
[Chemical Properties]

Colorless to light yellow liquid
[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.
[Preparation]

2-Octyl cyanoacetate was obtained by direct esterification of cyanoacetic acid with octan-2-ol in a 1:1 molar ratio in the presence of two/three drops of 2% concentrated sulphuric acid as a catalyst and toluene as solvent, to allow for the azeotropic removal of the reaction water.
 2-Octyl cyanoacetate
Spectrum DetailBack Directory
[Spectrum Detail]

2-Octyl cyanoacetate(52688-08-1)1HNMR
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