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607-97-6

Basic Information
CAS No.: 607-97-6
Name: Butanoic acid,2-ethyl-3-oxo-, ethyl ester
Molecular Structure:
Molecular Structure of 607-97-6 (Butanoic acid,2-ethyl-3-oxo-, ethyl ester)
Formula: C8H14O3
Molecular Weight: 158.20
Synonyms: Acetoaceticacid, 2-ethyl-, ethyl ester (6CI,7CI,8CI);2-Ethyl-3-oxobutanoic acid ethylester;2-Ethylacetoacetic acid ethyl ester;Ethyl 2-acetylbutanoate;Ethyl2-acetylbutyrate;Ethyl 2-ethyl-3-ketobutyrate;Ethyl 2-ethyl-3-oxobutanoate;Ethyl 2-ethyl-3-oxobutyrate;Ethyl 2-ethylacetoacetate;Ethyl2-ethylacetylacetate;Ethyl a-acetylbutyrate;Ethyl a-ethylacetoacetate;NSC 53775;
EINECS: 210-151-6
Density: 0.979 g/cm3
Melting Point: 170 °C (decomp)
Boiling Point: 190 °C at 760 mmHg
Flash Point: 75.7 °C
Solubility:
Appearance: Colorless liquid.
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 23-24/25-36-26
Transport Information:
PSA: 43.37000
LogP: 1.16470
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Chemistry

Molecule structure of Butanoic acid,2-ethyl-3-oxo-, ethyl ester (CAS NO.607-97-6):

IUPAC Name: Ethyl 2-ethyl-3-oxobutanoate 
Molecular Weight: 158.19496 g/mol
Molecular Formula: C8H14O3 
Index of Refraction: 1.419
Molar Refractivity: 40.87 cm3
Molar Volume: 161.5 cm3
Surface Tension: 29.8 dyne/cm
Density: 0.979 g/cm3
Flash Point: 75.7 °C
Enthalpy of Vaporization: 42.62 kJ/mol
Boiling Point: 190 °C at 760 mmHg
Vapour Pressure: 0.554 mmHg at 25 °C 
Storage Temp.: 2-8 °C
XLogP3-AA: 1.3
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Tautomer Count: 5
Exact Mass: 158.094294
MonoIsotopic Mass: 158.094294
Topological Polar Surface Area: 43.4
Heavy Atom Count: 11
Canonical SMILES: CCC(C(=O)C)C(=O)OCC
InChI: InChI=1S/C8H14O3/c1-4-7(6(3)9)8(10)11-5-2/h7H,4-5H2,1-3H3
InChIKey: OKANYBNORCUPKZ-UHFFFAOYSA-N
EINECS: 210-151-6
Product Categories: Pharmaceutical Intermediates;Organic acids;API intermediates;C8 to C9;Carbonyl Compounds;Esters

Uses

 Butanoic acid,2-ethyl-3-oxo-, ethyl ester (CAS NO.607-97-6) is used as intermediates for pharmaceutical.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-24/25-36-26 
S23:Do not breathe vapour. 
S24/25:Avoid contact with skin and eyes. 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 1

Specification

 Butanoic acid,2-ethyl-3-oxo-, ethyl ester (CAS NO.607-97-6) is also named as AI3-06006 ; Ethyl 2-acetylbutyrate ; Ethyl 2-ethyl-3-ketobutyrate ; Ethyl 2-ethylacetoacetate ; Ethyl alpha-acetylbutyrate ; Ethyl alpha-ethylacetoacetate ; NSC 53775 ; Acetoacetic acid, 2-ethyl-, ethyl ester (8CI) .