Cyclohexanone peroxide

C₁₂H₂₂O₅CAS 12262-58-7246.30 g/mol

Open in Covalent MOL file

Alcohol Peroxide

Properties

Molecular formula: C₁₂H₂₂O₅
Molar mass: 246.30 g/mol
Exact mass: 246.1467 Da
Density: 1.05 g/mL (at 20 °C)
Melting point: 65–70 °C
Flash point: 157.2 °C
Water solubility: insoluble
logP: 2.74Crippen estimate
Polar surface area: 68.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4

Hazards

Danger

H240 Heating may cause an explosionSelf-reactive substances and mixtures; Organic peroxides
H302 Harmful if swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation

Harmonised EU classification (CLP Annex VI, index 617-010-00-1[4]), via PubChem.

Precautionary statements

P210, P234, P235, P240, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P372+P380+P373, P403, P405, P410, P411, P420, P501

Identifiers

CAS number

12262-58-7

SMILES

C1CCC(CC1)(O)OOC2(CCCCC2)OO

InChIKey

UICXTANXZJJIBC-UHFFFAOYSA-N

InChI

InChI=1S/C12H22O5/c13-11(7-3-1-4-8-11)16-17-12(15-14)9-5-2-6-10-12/h13-14H,1-10H2

Weigh it out

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

Names and synonyms

11 names

Cyclonox LR
Trigonox 113
Cyclohexanone, peroxide
Cyclonox LNC
Cyclonox LE 50
Luperox CH-S
Cyclonox LE
Interox CHP-HA-M 2
Peroxycyclohexanone
Cyclonox BT 50
Perhexa H

Work with Cyclohexanone 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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-[(1-Hydroperoxycyclohexyl)dioxy]cyclohexanol78-18-2

Similar compounds

1,1-Bis(tert-butylperoxy)cyclohexane3006-86-837 % similar 1,1-Dimethoxycyclohexane933-40-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook