Basic information
- CAS
2699-12-9- Standard SMILES
OOC1(OOC2(OO)CCCCC2)CCCCC1- InChIKey
DGSNTUCORHZCPV-UHFFFAOYSA-N- Molecular formula
- C12H22O6
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.14163842
Names & identifiers
- Preferred name
- Hydroperoxide, (dioxydicyclohexylidene)bis-
- IUPAC
- 1-hydroperoxy-1-(1-hydroperoxycyclohexyl)peroxycyclohexane
- English name
- di-(1-hydroperoxycyclohexyl)peroxide
- Molecular formula
- C12H22O6
- Molecular weight
- 262.3
Names & synonyms
2699-12-9Hydroperoxide, (dioxydicyclohexylidene)bis-NSC 236597Cyclohexyl peroxide dihydroperoxideBis(1-hydroperoxycyclohexyl) peroxideSCHEMBL36915DTXSID60181485di-(1-hydroperoxycyclohexyl)peroxideCyclohexyl hydroperoxide,1'-dioxydi-NSC2365971,1'-Dihydroperoxycyclohexyl peroxideAKOS015906694
Show more names
Hydroperoxide, 1,1'-(dioxydicyclohexylidene)bis-
1,1'-Peroxydi(cyclohexane-1-peroxol)Bis-[1-hydroperoxy-cyclohexyl]-peroxydNSC-236597Peroxide, bis(1-hydroperoxycyclohexyl)1,1'-Dihydroperoxydicyclohexyl peroxideHydroperoxide, (dioxydicyclohexylidene)di-1,1-Dihydroperoxycyclohexanylperoxide-1,1'1-[(1-hydroperoxycyclohexyl)peroxy]cyclohexyl hydroperoxide
Database identifiers
- CAS
2699-12-9- PubChem CID
- 314972
- DTXSID
DTXSID60181485- EC Number
- 608-030-1
- Nikkaji
- J1.453.494F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 83 · 83-83 °C
- Boiling point
- 406.4 · 406.4±25.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 11.36 · 11.36±0.20(Predicted)
- RIDADR
- 3104 · 3104
- HazardClass
- 5.2 · 5.2
- PackingGroup
- II
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3104
- hazard_class
- 5.2
- packing_group
- II
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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