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Ethyl acetoacetate

CAT: 1568-C11545Size: 25 µLDry Ice: NoHazardous: No
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CAT#:1568-C11545Size:25 µL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
141-97-9
SKU
C11545-25ul
Target
Others
Applications
Others
Smiles
CCOC (=O) CC (=O) C
Molecular Formula
C6H10O3
Additionnal Information
Ethyl acetoacetate, found in coffee and coffee products as well as in strawberry and yellow passion fruit juice, is a flavouring agent used as a chemical intermediate in the production of a wide variety of compounds.
Storage Conditions
2 years -20°C liquid

Chemical Information

Ethyl Acetoacetate

Ethyl acetoacetate is an ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol. It has a role as an antibacterial agent, a flavouring agent and a plant metabolite. It is functionally related to an acetoacetic acid.

CAS Number141-97-9
PubChem CID8868
IUPAC Nameethyl 3-oxobutanoate
Molecular FormulaC6H10O3
Molecular Weight130.14
XLogP0.2
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity117
SMILES
CCOC(=O)CC(=O)C
InChI
InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
InChIKey
XYIBRDXRRQCHLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Acetoacetate
CAS: 141-97-9
CID: 8868
Formula: C6H10O3
MW: 130.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.14
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass130.062994177
Monoisotopic Mass130.062994177
Topological Polar Surface Area43.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity117
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
C09337-01Lithium acetoacetate
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C09107Methyl acetoacetate
C11128-25mgEthyl gallate
C10955-25ulEthyl Oleate
C04020-5mgTelotristat ethyl
C02294-50mgEthyl methanesulfonate
C04020Telotristat ethyl

Alternative Products

CatalogName
HY-Y1093-01Ethyl acetoacetate
HY-Y1093S1Ethyl acetoacetate-13C4
HY-Y1093S3-01Ethyl acetoacetate-13c
DE2137Ethyl acetoacetate-D5
523105Ethyl Acetoacetate AR
E04240-01Ethyl acetoacetate 99%
HY-Y1093S4-01Ethyl acetoacetate-d3

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