CAS
94-01-9 Purity
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94-01-9 Purity
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Ethyl benzoylacetate
CAS
94-02-0
Catalog Number
ACM94020
Category
Other Products
Molecular Weight
192.21
Molecular Formula
C11H12O3
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Specification
Synonyms
Benzoylacetic acid ethyl ester
IUPAC Name
Ethyl 3-oxo-3-phenylpropanoate
Canonical SMILES
CCOC(=O)CC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key
GKKZMYDNDDMXSE-UHFFFAOYSA-N
Boiling Point
265-270 °C
Melting Point
<0 °C
Flash Point
147 °F
Density
1.11 g/mL at 25 °C(lit.)
Solubility
Insoluble in water; soluble in organic solvents, oils
Appearance
White to off white powder with a characteristic odor
Assay
0.99
Exact Mass
192.078644241
Monoisotopic Mass
192.078644241
Packaging
1 kg
Physical State
Liquid
Refractive Index
n20/D 1.52(lit.)
Stability
Substance may undergo color change upon exposure to light and air. Volatile in steam.
Storage Conditions
Below +30 °C
Topological Polar Surface Area
43.4 Ų
What is the molecular formula of ethyl benzoylacetate?
The molecular formula of ethyl benzoylacetate is C11H12O3.
What are the synonyms of ethyl benzoylacetate?
The synonyms of ethyl benzoylacetate are ETHYL BENZOYLACETATE, Ethyl 3-oxo-3-phenylpropanoate, 94-02-0, Ethyl benzoyl acetate, and Benzoylacetic acid ethyl ester.
What is the molecular weight of ethyl benzoylacetate?
The molecular weight of ethyl benzoylacetate is 192.21 g/mol.
What is the IUPAC name of ethyl benzoylacetate?
The IUPAC name of ethyl benzoylacetate is ethyl 3-oxo-3-phenylpropanoate.
What is the InChI of ethyl benzoylacetate?
The InChI of ethyl benzoylacetate is InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What is the InChIKey of ethyl benzoylacetate?
The InChIKey of ethyl benzoylacetate is GKKZMYDNDDMXSE-UHFFFAOYSA-N.
What is the canonical SMILES of ethyl benzoylacetate?
The canonical SMILES of ethyl benzoylacetate is CCOC(=O)CC(=O)C1=CC=CC=C1.
What is the CAS number of ethyl benzoylacetate?
The CAS number of ethyl benzoylacetate is 94-02-0.
What is the European Community (EC) number of ethyl benzoylacetate?
The European Community (EC) number of ethyl benzoylacetate is 202-295-3.
What is the FEMA number of ethyl benzoylacetate?
The FEMA number of ethyl benzoylacetate is 2423.
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