Monoisopropyl phthalate
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Monoisopropyl phthalate
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CAS No:
35118-50-4
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Formula:
C11H12O4
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Chemical Name:
Monoisopropyl phthalate
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Synonyms:
1,2-Benzenedicarboxylic acid,1-(1-methylethyl) ester;1,2-Benzenedicarboxylic acid,mono(1-methylethyl) ester;Phthalic acid,isopropyl ester;Isopropyl hydrogen o-phthalate;Monoisopropyl phthalate;o-(Isopropoxycarbonyl)benzoic acid;Phthalic acid monoisopropyl ester;2-(Isopropoxycarbonyl)benzoic acid;2-[(Propan-2-yloxy)carbonyl]benzoic acid;2-(Isopropyloxycarbonyl)benzoic acid
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CAS No:
Description
Monoisopropyl phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isopropanol. It has a role as an anti-estrogen and a human xenobiotic metabolite. It is a phthalic acid monoester and an isopropyl ester. It derives from a propan-2-ol.
Monoisopropyl phthalate Use and Manufacturing
Monoisopropyl Phthalate is shown to have anti-estrogenic activities at higher than 10-4 M. It can also be used for the preparation of SB-462795, a cathepsin K inhibitor.
1,2-Benzenedicarboxylic acid, 1-(1-methylethyl) ester: INACTIVE
Computed Properties
Molecular Weight:208.21
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:208.07355886
Monoisotopic Mass:208.07355886
Topological Polar Surface Area:63.6
Heavy Atom Count:15
Complexity:247
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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isodecyl octyl phthalate
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Hydroabietyl phthalate Formula
55465-22-0
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Monononyl phthalate Formula
24539-59-1
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Monoisooctyl phthalate Formula
30849-48-0
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Dipentyl phthalate Structure
131-18-0
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27987-25-3
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75359-31-8
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