Mono-2-ethyl-5-hydroxyhexyl phthalate
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Mono-2-ethyl-5-hydroxyhexyl phthalate
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CAS No:
40321-99-1
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Formula:
C16H22O5
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Chemical Name:
Mono-2-ethyl-5-hydroxyhexyl phthalate
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Synonyms:
1,2-Benzenedicarboxylic acid,1-(2-ethyl-5-hydroxyhexyl) ester;1,2-Benzenedicarboxylic acid,mono(2-ethyl-5-hydroxyhexyl) ester;Mono-2-ethyl-5-hydroxyhexyl phthalate;118422-09-6
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CAS No:
Description
Light Yellow to Brown Oil
Mono(2-ethyl-5-hydroxyhexyl) phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the primary hydroxy group of 2-ethylhexane-1,5-diol It has a role as a human urinary metabolite and a human xenobiotic metabolite.
Characteristics
83.83000
2.48
1.2±0.1 g/cm3
463.7±30.0 °C at 760 mmHg
166.6±18.1 °C
1.534
172.92 Ų [M+Na]+
Computed Properties
Molecular Weight:294.34
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:294.14672380
Monoisotopic Mass:294.14672380
Topological Polar Surface Area:83.8
Heavy Atom Count:21
Complexity:342
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Monoisooctyl phthalate Formula
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Monoisopropyl phthalate Formula
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5793-85-1
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2306-33-4
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Mono-2-ethyl-5-hydroxyhexyl phthalate
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