Isobutyl cyanoacetate supplier

Name
Isobutyl cyanoacetate
EINECS 236-422-9
CAS No. 13361-31-4
Article Data2
CAS DataBase
Density 0.998 g/cm³
Solubility Immiscible with water
Melting Point -26oC
Formula C₇H₁₁NO₂
Boiling Point 201.7 °C at 760 mmHg
Molecular Weight 141.17
Flash Point 82.9 °C
Transport Information
Appearance Clear colourless liquid
Safety
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, cyano-, 2-methylpropyl ester (9CI);Acetic acid, cyano-, iso-butyl ester(7CI);Acetic acid, cyano-, isobutyl ester (6CI,8CI);Cyanoacetic acid isobutylester;
PSA 50.09000
LogP 1.09928

Isobutyl cyanoacetate Chemical Properties

IUPAC Name: 2-Methylpropyl 2-cyanoacetate
CAS: 13361-31-4
EINECS: 236-422-9
Following is the Molecular Structure of Isobutyl cyanoacetate (13361-31-4):

SMILES: N#CCC(=O)OCC(C)C
InChI: InChI=1/C7H11NO2/c1-6(2)5-10-7(9)3-4-8/h6H,3,5H2,1-2H3
InChIKey: HRGQEKKNLHJZGZ-UHFFFAOYAZ
Std.InChI: InChI=1S/C7H11NO2/c1-6(2)5-10-7(9)3-4-8/h6H,3,5H2,1-2H3
Std.InChIKey: HRGQEKKNLHJZGZ-UHFFFAOYSA-N
Molecular Formula: C₇H₁₁NO₂
Molecular Weight: 141.17
Melting Point: -26℃
Boiling Point: 201.7℃ at 760mmHg
Flash Point: 82.9℃
Molar Volume: 141.3cm³
Density: 0.998g/cm³
Molar Refractivity: 36.12cm³
Surface Tension: 33.9dyne/cm
Polarizability: 14.32 10^-24cm³
Enthalpy of Vaporization: 43.79kJ/mol
Vapour Pressure: 0.304mmHg at 25℃
Index of Refraction: 1.424

Isobutyl cyanoacetate Uses

Isobutyl cyanoacetate (13361-31-4) can be used for organic raw material.

Isobutyl cyanoacetate Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	4520mg/kg (4520mg/kg)	Behavioral: Somnolence (General Depressed Activity) Behavioral: Changes In Motor Activity (Specific Assay) Lungs, Thorax, or Respiration: Dyspnea	Personal Communication from LONZA Ltd., CH-4002, Basel, SwitzerlandVol. 13FEB1981,

Isobutyl cyanoacetate Consensus Reports

Reported in EPA TSCA Inventory.

Isobutyl cyanoacetate Safety Profile

Hazard Codes: Xi Irritant.
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes,respiratory system and skin.
RTECS: AG4250000

Isobutyl cyanoacetate Specification

Isobutyl cyanoacetate (13361-31-4),which also can be called for Cyanoacetic acia isobutyl ester ; IBCY ; Isobutyryl cyanoacetate ; Isobutylcyanoacetate ; 2-Methylpropyl cyanoacetate ; Acetic acid,cyano-,2-Methylpropyl ester ; Cyano-aceticaci2-methylpropylester ; Cyano-aceticaciisobutylester . Isobutyl cyanoacetate (13361-31-4) is a clear colourless liquid and it's very soluble in water.This chemical should be stored in a cool,dry place.Store in a tightly closed container.Wash thoroughly after handling it.It's stable under normal temperatures and pressures.After decomposition, Isobutyl cyanoacetate (13361-31-4) turned into Carbon monoxide , Oxides of nitrogen and Carbon dioxide .Be attention of it's a poisonous chemical.

Product Name

Isobutyl cyanoacetate