chempirical

tert-Butyl hydroperoxide

C4H10O2CAS 75-91-290.12 g/mol

Open in Covalent MOL file
OOH
Peroxide

Properties

Molecular formula
C4H10O2
Molar mass
90.12 g/mol
Exact mass
90.0681 Da
Density
0.896 g/mL (at 20 °C)
Melting point
−8 °C
Boiling point
35 °C (at 20 Torr)
logP
1.27Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
75-91-2
SMILES
CC(C)(C)OO
InChIKey
CIHOLLKRGTVIJN-UHFFFAOYSA-N
InChI
InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

23 names · show all
  • Hydroperoxide, 1,1-dimethylethyl
  • 1,1-Dimethylethyl hydroperoxide
  • Cadox TBH
  • Perbutyl H
  • 2-Hydroperoxy-2-methylpropane
  • Trigonox A-W 70
  • Kayabutyl H
  • Perbutyl H 69T
  • t-Butyl hydroperoxide
  • Perbutyl H 80
  • tert-Butyl hydrogen peroxide
  • TBHP
  • Perbutyl H 69
  • Luperox TBH 70X
  • NSC 672
  • Luperox H 70
  • Kayabutyl H 70
  • T-HYDRO
  • Luperox TBHP
  • Peroxan BHP 10
  • Luperox TBH
  • H 70
  • 2-Methylpropane-2-peroxol

Work with tert-Butyl hydroperoxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Di-tert-butyl peroxide110-05-440 % similar Methyl tert-butyl ether1634-04-435 % similar Tri-tert-butoxysilanol18166-43-335 % similar O-tert-Butylhydroxylamine hydrochloride39684-28-135 % similar tert-Butyl hypochlorite507-40-433 % similar Cumene hydroperoxide80-15-932 % similar tert-Butyl carbazate870-46-232 % similar Ethylene glycol mono-tert-butyl ether7580-85-032 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Butanediol107-88-0 Propylene glycol methyl ether107-98-2 1,4-Butanediol110-63-4 Dimethoxyethane110-71-4 2-Ethoxyethanol110-80-5 Propylene glycol monomethyl ether1320-67-8 2-Methoxy-1-propanol1589-47-5 3-Methoxy-1-propanol1589-49-7

Elsewhere

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