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68612-94-2

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Basic Information
CAS No.: 68612-94-2
Name: 3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone
Molecular Structure:
Molecular Structure of 68612-94-2 (3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methyl-2-pyridone)
Formula: C13H18N2O3
Molecular Weight: 250.298
Synonyms: 3-Cyano-6-hydroxy-N-(3-isopropoxypropyl)-4-methylpyridone;1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile;6-Hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile;6-Hydroxy-4-methyl-2-oxo-1-[3-(propan-2-yloxy)propyl]-1,2-dihydropyridine-3-carbonitrile;
EINECS: 411-990-2
Density: 1.178 g/cm3
Boiling Point: 389.066 °C at 760 mmHg
Flash Point: 189.101 °C
Hazard Symbols: IrritantXi
Risk Codes: 43
Safety: 24-37
PSA: 75.25000
LogP: 1.54908
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Chemistry

Empirical Formula: C13H18N2O3
Molecular Weight: 250.2936g/mol
EINECS: 411-990-2 
Structure of 3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo- (CAS NO.68612-94-2):

Index of Refraction: 1.538
Molar Refractivity: 66.52 cm3
Molar Volume: 212.3 cm3
Polarizability: 26.37×10-24cm3
Surface Tension: 48.8 dyne/cm
Density: 1.17 g/cm3
Flash Point: 189.1 °C
Enthalpy of Vaporization: 73.82 kJ/mol
Boiling Point: 389.1 °C at 760 mmHg
Vapour Pressure: 1.16E-07 mmHg at 25°C 
Systematic Name: 6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile
SMILES: CC(C)OCCCN1C(\O)=CC(\C)=C(\C#N)C1=O
InChI: InChI=1/C13H18N2O3/c1-9(2)18-6-4-5-15-12(16)7-10(3)11(8-14)13(15)17/h7,9,16H,4-6H2,1-3H3
InChIKey: VSQJORHLXHADFP-UHFFFAOYAN

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 43 
R43:May cause sensitization by skin contact.
Safety Statements: 24-37
 S24:Avoid contact with skin. 
S37:Wear suitable gloves.

Specification

  3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo- , its cas register number is 68612-94-2. It also can be called 1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile ; 3-Pyridinecarbonitrile, 1-isoproxypropyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo- ; 6-Hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile . 3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo- (CAS NO.68612-94-2) may cause sensitization by skin contact so you should avoid contact with skin.