UNII:2B1J2157CO

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Names

[ CAS No. ]:
62391-99-5

[ Name ]:
UNII:2B1J2157CO

[Synonym ]:
2-Isopropylpentanoic acid
Propylisopropylacetic Acid
UNII:2B1J2157CO
Sodium Valproate Impurity C
Pentanoic acid, 2-(1-methylethyl)-
2-(propan-2-yl)pentanoic acid
2-Isopropyl-valeriansaeure
2-(1-Methylethyl)pentanoic acid
2-Isopropylvaleric acid
2-isopropyl-2-propyl-acetic acid

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
230.6±8.0 °C at 760 mmHg

[ Molecular Formula ]:
C8H16O2

[ Molecular Weight ]:
144.211

[ Flash Point ]:
104.8±9.8 °C

[ Exact Mass ]:
144.115036

[ PSA ]:
37.30000

[ LogP ]:
2.54

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.434

Safety Information

[ Hazard Codes ]:
Xi

[ RIDADR ]:
NONH for all modes of transport

Synthetic Route

Precursor & DownStream

Precursor

  • 3-Methylbutanoic acid
  • 1-Iodopropane
  • monolithium mono(3-methylbut-1-ene-1,1-bis(olate))
  • 2-Iodopropane
  • Pentanoic acid
  • diethyl 2-propan-2-yl-2-propylpropanedioate
  • Diethyl 2-propylmalonate

DownStream

  • [cyano-(3-phenoxyphenyl)methyl] 2-propan-2-ylpentanoate

Related Compounds

  • 5-oxo-1-phenyl-N-((1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl)pyrrolidine-3-carboxamide
  • N-((1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl)thiophene-3-carboxamide
  • 3-(benzenesulfonyl)-N-[(1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl]propanamide
  • N-((1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl)-1H-indole-5-carboxamide
  • N-((1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl)cyclohex-3-enecarboxamide
  • N-((1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl)-2,3-dihydrobenzo[b][1,4]dioxine-5-carboxamide
  • 1-Phenethyl-3-((1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl)urea
  • 1-Benzyl-3-((1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl)urea
  • 1-(4-Fluorobenzyl)-3-((1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl)urea
  • 3,4-dimethoxy-N-((1r,4r)-4-(pyrazin-2-yloxy)cyclohexyl)benzenesulfonamide
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