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Ethyl 2-oxobutanoate

Ethyl 2-oxobutanoate structure

CAS No:
15933-07-0
Formula:
C6H10O3
Chemical Name:
Ethyl 2-oxobutanoate
Synonyms:
Butanoic acid,2-oxo-,ethyl ester;Butyric acid,2-oxo-,ethyl ester;Ethyl 2-oxobutyrate;Ethyl α-oxobutyrate;Ethyl α-ketobutyrate;Ethyl 3-methylpyruvate;Ethyl 2-ketobutyrate;Ethyl α-oxobutanoate;Ethyl 2-oxobutanoate;2-Oxobutanoic acid ethyl ester;2-Oxobutyric acid ethyl ester
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Ethyl 2-oxobutanoate Basic Attributes

Molecular Weight：

152.12

Exact Mass：

130.14

EC Number：

240-071-7

DSSTox ID：

DTXSID40166639

HScode：

2918300090

Characteristics

PSA：

43.4

XLogP3：

0.58

Appearance：

Pale yellow Liquid

Density：

1.020 g/cm³ @ Temp: 20 °C

Melting Point：

168 ºC (DEC.)

Boiling Point：

140-145 °C @ Press: 0.4 Torr

Flash Point：

61.2±15.9 °C

Refractive Index：

1.4730 (estimate)

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H227 (100%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:130.14
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:130.062994177
Monoisotopic Mass:130.062994177
Topological Polar Surface Area:43.4
Heavy Atom Count:9
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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