Basic information
- CAS
2407-94-5- Standard SMILES
OC1(OOC2(O)CCCCC2)CCCCC1- InChIKey
ZPOUDMYDJJMHOO-UHFFFAOYSA-N- Molecular formula
- C12H22O4
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.15180918
Overview
See also: [> 91 % Solution] (annotation moved to).
Names & identifiers
- Preferred name
- Cyclohexanol, 1,1'-dioxybis-
- IUPAC
- 1-(1-hydroxycyclohexyl)peroxycyclohexan-1-ol
- English name
- 1,1'-dioxybiscyclohexan-1-ol
- Molecular formula
- C12H22O4
- Molecular weight
- 230.30068
Names & synonyms
Cyclohexanol, 1,1'-dioxybis-Cyclohexanol, 1,1'-dioxydi-1,1'-Dioxybiscyclohexan-1-olBis(1-hydroxycyclohexyl) peroxidePeroxide, bis(1-hydroxycyclohexyl)EINECS 219-306-21,1'-Peroxydicyclohexanol1,1'-Dioxybis[cyclohexanol]Di-(1-hydroxycyclohexyl)peroxide1,1'-Dioxybis(cyclohexanol)DI-(1-HYDROXYCYCLOHEXYL) PEROXIDE, (TECHNICALLY PURE)DI-(1-HYDROXYCYCLOHEXYL) PEROXIDE, [TECHNICALLY PURE]
Show more names
1,1'-dioxycyclohexanolBis-(1-hydroxycyclohexyl)-peroxide1-(1-hydroxycyclohexyl)peroxycyclohexan-1-olcyclohexanone peroxide, = 9% watercyclohexanone peroxide, = 68% inert solidcyclohexanone peroxide, <= 72% as a solution, <=9% oxygencyclohexanone peroxides, <=72% as a paste with <=9% oxygen
1,1'PeroxydicyclohexanolRefChem:5806231,1'Dioxybiscyclohexan1olCyclohexanol, 1,1'dioxydiDi(1hydroxycyclohexyl)peroxideBis(1hydroxycyclohexyl) peroxidePeroxide, bis(1hydroxycyclohexyl)1,1'Dihydroxydicyclohexyl peroxide
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 193
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Peroxides, Organic
Physicochemical properties
- Melting point
- 66 · 66-68 °C
- Boiling point
- 444.4 °C · 444.4°C (rough estimate)
- Density
- 1.1266 · 1.1266 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 13.13 · 13.13±0.20(Predicted)
- FDA UNII
- 7 XR9J84XLH · 7XR9J84XLH
- EPA Substance Registry System
- 1 · Cyclohexanol, 1,1'-dioxybis- (2407-94-5)
- RIDADR
- 3105 · 3105
- TSCA
- TSCA listed
- 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.
GHS classification
GHS Classification
Danger
H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
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+P378, P403, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Danger
H240: Heating may cause an explosion [Danger Self-reactive substances and mixtures; Organic peroxides]
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, and P501 (click each P-code to see the statement)
Hazard information
DOT LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Health HazardsExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Hazards SummaryA strong oxidizing agent; Explosive; [CAMEO] See Cyclohexanone peroxide.
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity Profile
The explosive instability of the lower dialkyl peroxides (e.g. dimethyl peroxide) and 1,1-bis-peroxides decreases rapidly with increasing chain length and degree of branching, the di-tert-alkyl derivatives being amongst the most stable class of peroxides. Though many 1,1-bis-peroxides have been reported, few have been purified because of the higher explosion hazards compared with the monofunctional peroxides. It is unlikely that this derivative would be particularly unstable compared to other peroxides in its class [Bretherick 2nd ed., p 44 1979]. Very temperature and shock sensitive.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 1,1'-dioxybis-: ACTIVE
Suppliers5 total
南通合润生物科技有限公司18362409333 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
海蔚化学86-21-51086038 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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