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Home > Encyclopedia > 2-(4-n-Butylphenyl)propionic acid

2-(4-n-Butylphenyl)propionic acid

2-(4-n-Butylphenyl)propionic acid structure

2-(4-n-Butylphenyl)propionic acid 

structure
  • CAS No:

    3585-49-7

  • Formula:

    C13H18O2

  • Chemical Name:

    2-(4-n-Butylphenyl)propionic acid

  • Synonyms:

    Benzeneacetic acid,4-butyl-α-methyl-;Hydratropic acid,p-butyl-;4-Butyl-α-methylbenzeneacetic acid;p-Butylhydratropic acid;2-(p-Butylphenyl)propionic acid;2-(4-n-Butylphenyl)propionic acid;2-(4-Butylphenyl)propanoic acid

  • Categories:

    Analytical Chemistry  >  Standard

2-(4-n-Butylphenyl)propionic acid Basic Attributes

206.28

206.28

2916399090

Characteristics

37.30000

3.91

1.0±0.1 g/cm3

143 °C @ Press: 0.5 Torr

2℃

1.520

Safety Information

UN 1648 3 / PGII

P210-P261-P280-P305 + P351 + P338-P370 + P378-P403 + P235

H225-H302 + H312 + H332-H319

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P281, P301+P312, P308+P313, P314, P330, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-(4-n-Butylphenyl)propionic acid Use and Manufacturing

An Ibuprofen (I140000) impurity.

Computed Properties

Molecular Weight:206.28
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:206.130679813
Monoisotopic Mass:206.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:15
Complexity:193
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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