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Ethyl 3-oxo-2-(phenylmethylene)butanoate

Ethyl 3-oxo-2-(phenylmethylene)butanoate structure

CAS No:
620-80-4
Formula:
C13H14O3
Chemical Name:
Ethyl 3-oxo-2-(phenylmethylene)butanoate
Synonyms:
Butanoic acid,3-oxo-2-(phenylmethylene)-,ethyl ester;Cinnamic acid,α-acetyl-,ethyl ester;Ethyl 3-oxo-2-(phenylmethylene)butanoate;Ethyl 2-benzylideneacetoacetate;Ethyl α-acetylcinnamate;Ethyl benzylideneacetoacetate;3-Oxo-2-(phenylmethylene)butanoic acid ethyl ester;NSC 68527;Ethyl 2-(acetyl)-3-phenyl-2-propenoate;111853-44-2
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White powder; Balsamic aroma with tropical fruit notes.

Ethyl 3-oxo-2-(phenylmethylene)butanoate Basic Attributes

Molecular Weight：

218.25

Exact Mass：

218.25

EC Number：

612-942-5

HScode：

2918300090

Characteristics

PSA：

43.37000

XLogP3：

2.21

Appearance：

White powder; Balsamic aroma with tropical fruit notes.

Density：

1.5590 g/cm³ @ Temp: 17 °C

Melting Point：

60.5 °C

Boiling Point：

296 °C

Flash Point：

111.9±18.2 °C

Refractive Index：

1.546

Water Solubility：

Practically insoluble or insoluble in water

Ethyl 3-oxo-2-(phenylmethylene)butanoate Use and Manufacturing

Uses

Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents

Computed Properties

Molecular Weight:218.25
XLogP3:2.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:218.094294304
Monoisotopic Mass:218.094294304
Topological Polar Surface Area:43.4
Heavy Atom Count:16
Complexity:286
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Latest News on Ethyl 3-oxo-2-(phenylmethylene)butanoate

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Guide of Ethyl 3-oxo-2-(phenylmethylene)butanoate

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

Ethyl 3-oxo-2-(phenylmethylene)butanoate

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