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122-93-0

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Basic Information
CAS No.: 122-93-0
Name: 2-(5-Ethyl-2-pyridinyl)ethyl=acrylate
Molecular Structure:
Molecular Structure of 122-93-0 (2-(5-Ethyl-2-pyridinyl)ethyl=acrylate)
Formula: C12H15 N O2
Molecular Weight: 205.28
Synonyms: Acrylicacid, 2-(5-ethyl-2-pyridyl)ethyl ester (7CI,8CI); 2-(5-Ethyl-2-pyridyl)ethylacrylate; 2-(5-Ethyl-2-pyridyl)ethyl propenoate
Density: 1.045g/cm3
Boiling Point: 317.6°Cat760mmHg
Flash Point: 145.9°C
Safety: Moderately toxic by skin contact. Mildly toxic by ingestion. A severe skin irritant. See also ESTERS. Flammable. Store away from heat, sparks, or powerful oxidizers. To fight fire, use foam, CO2, dry chemicals. When heated to decomposition it emits toxic fumes of NOx.
PSA: 39.19000
LogP: 1.91570
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Chemistry

The Molecular Structure of Acrylic acid, 2-(5'-ethylpyrid-2'-yl)ethyl ester (CAS NO.122-93-0):
Molecular Formula: C12H15NO2
Molecular Weight: 205.253000 g/mol
Classification: Skin / Eye Irritant 
IUPAC: 2-(5-ethylpyridin-2-yl)ethyl prop-2-enoate
Nominal Mass: 205 Da
Average Mass: 205.253 Da
Monoisotopic Mass: 205.110279 Da 
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.3
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 5.5): 29.59
ACD/BCF (pH 7.4): 45.25
ACD/KOC (pH 5.5): 347.83
ACD/KOC (pH 7.4): 531.95
Polar Surface Area: 39.19Å2
Index of Refraction: 1.511
Molar Refractivity: 58.84 cm3
Molar Volume: 196.3 cm3
Surface Tension: 38 dyne/cm
Density: 1.045 g/cm3
Flash Point: 145.9 °C
Enthalpy of Vaporization: 55.91 kJ/mol
Boiling Point: 317.6 °C at 760 mmHg
Vapour Pressure: 0.00038 mmHg at 25°C
InChI: InChI=1/C12H15NO2/c1-3-10-5-6-11(13-9-10)7-8-15-12(14)4-2/h4-6,9H,2-3,7-8H2,1H3
Smiles: c1(ccc(CC)cn1)CCOC(C=C)=O

Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open SEV

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
2.    

orl-rat LD50:4920 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
3.    

skn-rbt LD50:2230 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.

Safety Profile

Moderately toxic by skin contact. Mildly toxic by ingestion. A severe skin irritant. See also ESTERS. Flammable. Store away from heat, sparks, or powerful oxidizers. To fight fire, use foam, CO2, dry chemicals. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Acrylic acid, 2-(5'-ethylpyrid-2'-yl)ethyl ester (CAS NO.122-93-0) is also called as 2-(5-Ethyl-2-pyridyl)ethyl acrylate ; 2-(5-Ethyl-2-pyridyl)ethyl propenoate .