1-[(1-Hydroperoxycyclohexyl)dioxy]cyclohexanol

C₁₂H₂₂O₅CAS 78-18-2246.30 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: 76–77 °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

78-18-2

SMILES

OOC1(OOC2(O)CCCCC2)CCCCC1

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

6 names

Cyclohexanol, 1-[(1-hydroperoxycyclohexyl)dioxy]-
Peroxide, 1-hydroperoxycyclohexyl 1-hydroxycyclohexyl
1-Hydroxy-1′-hydroperoxydicyclohexyl peroxide
Perhexa P
1-Hydroperoxycyclohexyl 1-hydroxycyclohexyl peroxide
Cyclohexanone peroxide

Work with 1-[(1-Hydroperoxycyclohexyl)dioxy]cyclohexanol

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.

Cyclohexanone peroxide12262-58-7

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