chempirical

tert-Butyl peroxybenzoate

C11H14O3CAS 614-45-9194.23 g/mol

Open in Covalent MOL file
OOO
Peroxide

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Density
1.021 g/mL (at 25 °C)
Melting point
8 °C
Boiling point
75–76 °C (at 0.2 Torr)
logP
2.57Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
614-45-9
SMILES
CC(C)(C)OOC(=O)c1ccccc1
InChIKey
GJBRNHKUVLOCEB-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

32 names · show all
  • Benzenecarboperoxoic acid, 1,1-dimethylethyl ester
  • Peroxybenzoic acid, tert-butyl ester
  • tert-Butyl alcohol, peroxybenzoate
  • tert-Butyl perbenzoate
  • tert-Butyl benzoyl peroxide
  • Benzoyl tert-butyl peroxide
  • Perbutyl Z
  • Esperox 10
  • Chaloxyd TBPB
  • Kayabutyl B
  • Luperox P
  • Trigonox C
  • Interox TBPB-HA-M 1
  • TC 5 (vulcanizer)
  • TC 5
  • CP 02
  • CP 02 (catalyst)
  • Chaloxyd TBPB-HA-M 1
  • TBPB-HA-M 1
  • NSC 674
  • Link-cup TBPB
  • t-Butyl peroxybenzoate
  • Trigonox C 50D
  • Norox TBPB
  • Trigonox 93
  • Luperox PXL
  • V 73
  • LQ-TBPB
  • TBPB
  • TBPB-HA-M 3
  • B 802799
  • Peroxan PB

Work with tert-Butyl peroxybenzoate

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

Benzoyl peroxide94-36-063 % similar Acetozone644-31-555 % similar Methyl benzoate93-58-352 % similar Neopentyl glycol dibenzoate4196-89-851 % similar Pentaerythrityl tetrabenzoate4196-86-547 % similar Ethyl benzoate93-89-047 % similar Isopropyl benzoate939-48-047 % similar Peroxybenzoic acid93-59-447 % similar

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

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3

Elsewhere

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