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Mono-n-octyl phthalate

Mono-n-octyl phthalate structure

Mono-n-octyl phthalate 

structure
  • CAS No:

    5393-19-1

  • Formula:

    C16H22O4

  • Chemical Name:

    Mono-n-octyl phthalate

  • Synonyms:

    1,2-Benzenedicarboxylic acid,1-octyl ester;Phthalic acid,monooctyl ester;1,2-Benzenedicarboxylic acid,monooctyl ester;Phthalic acid,octyl ester;Octyl hydrogen phthalate;Monooctyl phthalate;Hydrogen octyl phthalate;Mono-n-octyl phthalate;NSC 4639

Description

Light Brown Liquid


Monooctyl phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of octanol. It has a role as a human xenobiotic metabolite. It derives from an octan-1-ol.

Mono-n-octyl phthalate Basic Attributes

278.344

278.34

226-398-8

9KSH93UAM4

4639

DTXSID4052714

2918990090

Characteristics

63.60000

4.85

1.1±0.1 g/cm3

414.4±28.0 °C at 760 mmHg

146.5±17.5 °C

1.518

Refrigerator

Drug Information

MNOP

Mono-n-octyl phthalate Use and Manufacturing

Phthalate metabolite.

Computed Properties

Molecular Weight:278.34
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:278.15180918
Monoisotopic Mass:278.15180918
Topological Polar Surface Area:63.6
Heavy Atom Count:20
Complexity:301
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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