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Home > Encyclopedia > Monoisodecyl phthalate

Monoisodecyl phthalate

Monoisodecyl phthalate structure

Monoisodecyl phthalate 

structure
  • CAS No:

    31047-64-0

  • Formula:

    C18H26O4

  • Chemical Name:

    Monoisodecyl phthalate

  • Synonyms:

    1,2-Benzenedicarboxylic acid,1-isodecyl ester;1,2-Benzenedicarboxylic acid,monoisodecyl ester;Phthalic acid,isodecyl ester;Monoisodecyl phthalate;400764-69-4

Description

Monoisodecyl phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isodecanol. It has a role as a human xenobiotic metabolite, a bacterial xenobiotic metabolite and a rat metabolite.

Monoisodecyl phthalate Basic Attributes

306.4 g/mol

306.18310931 g/mol

Characteristics

63.6 Ų

Computed Properties

Molecular Weight:306.4
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:306.18310931
Monoisotopic Mass:306.18310931
Topological Polar Surface Area:63.6
Heavy Atom Count:22
Complexity:338
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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