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Home > Encyclopedia > Monoisopropyl phthalate

Monoisopropyl phthalate

Monoisopropyl phthalate structure

Monoisopropyl phthalate 

structure
  • CAS No:

    35118-50-4

  • Formula:

    C11H12O4

  • Chemical Name:

    Monoisopropyl phthalate

  • 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

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 Basic Attributes

208.21

208.21

Characteristics

63.6 Ų

1.201±0.06 g/cm3

79-81.5 °C

343.8±25.0 °C(Predicted)

3.45±0.36

Monoisopropyl phthalate Use and Manufacturing

Uses

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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