tert-Butyl hydroperoxide

tert-Butyl hydroperoxide (tBuOOH) is the organic compound with the formula (CH3)3COOH. It is one of the most widely used hydroperoxides in a variety of oxidation processes, for example the Halcon process. It is normally supplied as a 69–70% aqueous solution. Compared to hydrogen peroxide and organic peracids, tert-butyl hydroperoxide is less reactive and more soluble in organic solvents. Overall, it is renowned for the convenient handling properties of its solutions. Its solutions in organic solvents are highly stable.

tert-Butyl hydroperoxide
Names
Preferred IUPAC name
2-Methylpropane-2-peroxol
Systematic IUPAC name
tert-Butyl hydroperoxide
Identifiers
3D model (JSmol)
Abbreviations TBHP
1098280
ChEMBL
ChemSpider
ECHA InfoCard 100.000.833
EC Number
  • 200-915-7
MeSH tert-Butylhydroperoxide
RTECS number
  • EQ4900000
UNII
UN number 3109
  • InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3 Y
    Key: CIHOLLKRGTVIJN-UHFFFAOYSA-N Y
  • CC(C)(C)OO
Properties
C4H10O2
Molar mass 90.122 g·mol−1
Appearance Colorless liquid
Density 0.935 g/mL
Melting point −3 °C (27 °F; 270 K)
Boiling point 37 °C (99 °F; 310 K) at 2.0 kPa
miscible
log P 1.23
Acidity (pKa) 12.69
Basicity (pKb) 1.31
1.3870
Thermochemistry
−294±5 kJ/mol
2.710±0.005 MJ/mol
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 oxidizer
GHS labelling:
Danger
H226, H242, H302, H311, H314, H317, H331, H341, H411
P220, P261, P273, P280, P305+P351+P338, P310
NFPA 704 (fire diamond)
4
4
4
OX
Flash point 43 °C (109 °F; 316 K)
Safety data sheet (SDS)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references
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