Mono(2-ethyl-5-oxohexyl)phthalate
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Mono(2-ethyl-5-oxohexyl)phthalate
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CAS No:
40321-98-0
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Formula:
C16H20O5
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Chemical Name:
Mono(2-ethyl-5-oxohexyl)phthalate
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Synonyms:
1,2-Benzenedicarboxylic acid,1-(2-ethyl-5-oxohexyl) ester;1,2-Benzenedicarboxylic acid,mono(2-ethyl-5-oxohexyl) ester;2-Ethyl-5-oxohexyl phthalate;Mono(2-ethyl-5-oxohexyl)phthalate
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CAS No:
Description
Brown Liquid
Mono(2-ethyl-5-oxohexyl) phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 2-ethyl-5-oxohexan-1-ol. It has a role as a human xenobiotic metabolite and a human urinary metabolite. It is a methyl ketone and a phthalic acid monoester.
Characteristics
80.7
2.46
1.2±0.1 g/cm3
478.7±30.0 °C at 760 mmHg
174.0±18.1 °C
1.524
168.35 Ų [M-H]-
Computed Properties
Molecular Weight:292.33
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:292.13107373
Monoisotopic Mass:292.13107373
Topological Polar Surface Area:80.7
Heavy Atom Count:21
Complexity:377
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Mono(2-ethyl-5-oxohexyl)phthalate
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