Monoethyl phthalate
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Monoethyl phthalate
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CAS No:
2306-33-4
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Formula:
C10H10O4
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Chemical Name:
Monoethyl phthalate
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Synonyms:
1,2-Benzenedicarboxylic acid,1-ethyl ester;Phthalic acid,monoethyl ester;1,2-Benzenedicarboxylic acid,monoethyl ester;Phthalic acid,ethyl ester;Monoethyl phthalate;Ethyl 2-carboxybenzoate;2-(Ethoxycarbonyl)benzoic acid
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CAS No:
Description
Pale Pink Low Melting Solid
Solid
Monoethyl phthalate is a phthalic acid monoester resulting from the condensation of one of the carboxy groups of phthalic acid with ethanol. It has a role as a metabolite. It is an ethyl ester and a phthalic acid monoester.
Characteristics
63.60000
1.66
Solid
1.1877 g/cm3 @ Temp: 2.4 °C
46-48°C
250.62°C (rough estimate)
135.3±16.7 °C
1.547
Refrigerator
141.67 Ų [M-H]-|147.7 Ų [M-H]-
Computed Properties
Molecular Weight:194.18
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:194.05790880
Monoisotopic Mass:194.05790880
Topological Polar Surface Area:63.6
Heavy Atom Count:14
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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