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Home > Encyclopedia > 1-(7-Methyloctyl) 1,2-benzenedicarboxylate

1-(7-Methyloctyl) 1,2-benzenedicarboxylate

1-(7-Methyloctyl) 1,2-benzenedicarboxylate structure

1-(7-Methyloctyl) 1,2-benzenedicarboxylate 

structure
  • CAS No:

    106610-61-1

  • Formula:

    C17H24O4

  • Chemical Name:

    1-(7-Methyloctyl) 1,2-benzenedicarboxylate

  • Synonyms:

    1,2-Benzenedicarboxylic acid,1-(7-methyloctyl) ester;1,2-Benzenedicarboxylic acid,mono(7-methyloctyl) ester;1-Octanol,7-methyl-,phthalate;1-(7-Methyloctyl) 1,2-benzenedicarboxylate;2-(((7-Methyloctyl)oxy)carbonyl)benzoic acid

Description

Monoisononyl phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isononanol. It has a role as a human xenobiotic metabolite.

1-(7-Methyloctyl) 1,2-benzenedicarboxylate Basic Attributes

292.4 g/mol

292.37

271-096-1

DTXSID20873157

Characteristics

63.6 Ų

4.14810

Drug Information

monoisononyl phthalate

1-(7-Methyloctyl) 1,2-benzenedicarboxylate Use and Manufacturing

1,2-Benzenedicarboxylic acid, mono-C8-10-branched alkyl esters, C9-rich: INACTIVE

Computed Properties

Molecular Weight:292.4
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:292.16745924
Monoisotopic Mass:292.16745924
Topological Polar Surface Area:63.6
Heavy Atom Count:21
Complexity:325
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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