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Home > Encyclopedia > Mono-2-ethyl-5-hydroxyhexyl phthalate

Mono-2-ethyl-5-hydroxyhexyl phthalate

Mono-2-ethyl-5-hydroxyhexyl phthalate structure

Mono-2-ethyl-5-hydroxyhexyl phthalate 

structure
  • CAS No:

    40321-99-1

  • Formula:

    C16H22O5

  • Chemical Name:

    Mono-2-ethyl-5-hydroxyhexyl phthalate

  • Synonyms:

    1,2-Benzenedicarboxylic acid,1-(2-ethyl-5-hydroxyhexyl) ester;1,2-Benzenedicarboxylic acid,mono(2-ethyl-5-hydroxyhexyl) ester;Mono-2-ethyl-5-hydroxyhexyl phthalate;118422-09-6

Description

Light Yellow to Brown Oil


Mono(2-ethyl-5-hydroxyhexyl) phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the primary hydroxy group of 2-ethylhexane-1,5-diol It has a role as a human urinary metabolite and a human xenobiotic metabolite.

Mono-2-ethyl-5-hydroxyhexyl phthalate Basic Attributes

294.343

294.34

DTXSID50873160

Characteristics

83.83000

2.48

1.2±0.1 g/cm3

463.7±30.0 °C at 760 mmHg

166.6±18.1 °C

1.534

172.92 Ų [M+Na]+

Safety Information

NONH for all modes of transport

P280-P305 + P351 + P338-P337 + P313

H315-H319

Drug Information

MEHHP cpd

Mono-2-ethyl-5-hydroxyhexyl phthalate Use and Manufacturing

Phthalate metabolite.

Computed Properties

Molecular Weight:294.34
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:294.14672380
Monoisotopic Mass:294.14672380
Topological Polar Surface Area:83.8
Heavy Atom Count:21
Complexity:342
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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