Di-tert-butyl peroxide

C₈H₁₈O₂CAS 110-05-4146.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈O₂
Molar mass: 146.23 g/mol
Exact mass: 146.1307 Da
Density: 0.791 g/mL (at 25 °C)
Melting point: −40 °C
Boiling point: 111 °C
Water solubility: 100 mg/L (25 °C)
logP: 2.53Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H242 Heating may cause a fireSelf-reactive substances and mixtures; Organic peroxides
H341 Suspected of causing genetic defectsGerm cell mutagenicity

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P210, P233, P234, P235, P240, P241, P242, P243, P280, P303+P361+P353, P318, P370+P378, P403, P403+P235, P405, P410, P411, P420, P501

Identifiers

CAS number

110-05-4

SMILES

CC(C)(C)OOC(C)(C)C

InChIKey

LSXWFXONGKSEMY-UHFFFAOYSA-N

InChI

InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3

Weigh it out

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

Names and synonyms

23 names · show all

Peroxide, bis(1,1-dimethylethyl)
tert-Butyl peroxide
Bis(1,1-dimethylethyl) peroxide
Cadox TBP
DTBP
Bis(tert-butyl) peroxide
Trigonox B
Perbutyl D
B 50Elq
Interox DTB
Kayabutyl D
Peroximon DB
Luperox DI
TC 4
TC 4 (catalyst)
Di-t-butylperoxide
NSC 673
DTBP (peroxide)
Peroxan DB
DTPB
TC 4N
2-(tert-Butylperoxy)-2-methylpropane
B 100924

Work with Di-tert-butyl peroxide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethyl-2,5-di(tert-butylperoxy)hexyne-31068-27-556 % similar 2,5-Dimethyl-2,5-di(tert-butylperoxy)hexane78-63-756 % similar 2,2-Bis(tert-butylperoxy)butane2167-23-950 % similar 1,1-Bis(tert-butylperoxy)cyclohexane3006-86-850 % similar Bis(tert-butylperoxyisopropyl)benzene25155-25-347 % similar Methyl tert-butyl ether1634-04-443 % similar tert-Butyl peroxyacetate107-71-140 % similar t-Butyl hypochlorite507-40-440 % similar

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

Same formula

2,5-Dimethyl-2,5-hexanediol110-03-2 1,2-Octanediol1117-86-8 2-Hexoxyethanol112-25-4 (3R,6R)-3,6-Octanediol129619-37-0 2,2,4-Trimethyl-1,3-pentanediol144-19-4 2-(2-Ethoxyethoxy)-2-methylpropane51422-54-9 1,8-Octanediol629-41-4 Etohexadiol94-96-2

Elsewhere

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