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Ethyl (2E)-4-oxo-2-butenoate

Ethyl (2E)-4-oxo-2-butenoate structure

CAS No:
2960-66-9
Formula:
C6H8O3
Chemical Name:
Ethyl (2E)-4-oxo-2-butenoate
Synonyms:
2-Butenoic acid,4-oxo-,ethyl ester,(2E)-;Fumaraldehydic acid,ethyl ester;2-Butenoic acid,4-oxo-,ethyl ester,(E)-;Ethyl (2E)-4-oxo-2-butenoate;Ethyl trans-4-oxobutenoate;Ethyl fumaraldehydate;(E)-Ethyl 4-oxo-2-butenoate;Ethyl (E)-3-formylacrylate;Ethyl trans-4-oxo-2-butenoate;(E)-4-Oxo-2-butenoic acid ethyl ester;(2E)-4-Oxobut-2-enoic acid ethyl ester;Ethyl (2E)-4-oxobut-2-enoate;Ethyl (E)-4-oxobut-2-enoate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear yellow-green liquid

Ethyl (2E)-4-oxo-2-butenoate Basic Attributes

Molecular Weight：

128.13

Exact Mass：

128.13

BRN：

8762336

EC Number：

1592732-453-0

HScode：

29183000

Characteristics

PSA：

43.4

XLogP3：

0.2

Density：

1,063 g/cm 3

Melting Point：

-9°C

Boiling Point：

74 °C @ Press: 16 Torr

Flash Point：

68°C

Refractive Index：

1.455

Water Solubility：

Slightly soluble in water(2.6 g/L at 25°C).

Vapor Pressure：

0.343mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

2927

hazard class code：

25-34-43

safety instructions：

23-36/37/39-45-24/25

Precautionary statement(s)：

P260, P261, P264, P270, P272, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P272, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:128.13
XLogP3:0.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:128.047344113
Monoisotopic Mass:128.047344113
Topological Polar Surface Area:43.4
Heavy Atom Count:9
Complexity:126
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ethyl trans-4-oxo-2-butenoate3

CAS No.: 2960-66-9

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Ethyl trans-4-oxo-2-butenoate cas 2960-66-9

CAS No.: 2960-66-9

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Guide of Ethyl (2E)-4-oxo-2-butenoate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
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