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β-Methyl-4-(2-methylpropyl)benzeneethanol

β-Methyl-4-(2-methylpropyl)benzeneethanol structure

β-Methyl-4-(2-methylpropyl)benzeneethanol 

structure
  • CAS No:

    36039-36-8

  • Formula:

    C13H20O

  • Chemical Name:

    β-Methyl-4-(2-methylpropyl)benzeneethanol

  • Synonyms:

    Benzeneethanol,β-methyl-4-(2-methylpropyl)-;β-Methyl-4-(2-methylpropyl)benzeneethanol;2-(4-Isobutylphenyl)propanol;Ibuprofen alcohol;2-(4-Isobutylphenyl)propyl alcohol;2-(4-Isobutylphenyl)-1-propanol;(2RS)-2-[4-(2-Methylpropyl)phenyl]propan-1-ol;2-[4-(2-Methylpropyl)phenyl]propan-1-ol;127592-53-4;2271095-43-1

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

β-Methyl-4-(2-methylpropyl)benzeneethanol Basic Attributes

192.3

192.30

Characteristics

20.2 Ų

0.946±0.06 g/cm3

104 °C @ Press: 0.8 Torr

14.82±0.10

β-Methyl-4-(2-methylpropyl)benzeneethanol Use and Manufacturing

Ibuprofen alcohol is an impurity of Ibuprofen (I140000). Ibuprofen impurity P as per EP.

Computed Properties

Molecular Weight:192.30
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:192.151415257
Monoisotopic Mass:192.151415257
Topological Polar Surface Area:20.2
Heavy Atom Count:14
Complexity:145
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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