Basic information
- CAS
766-07-4- Standard SMILES
OOC1CCCCC1- InChIKey
FGGJBCRKSVGDPO-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- Cyclohexyl hydroperoxide
- IUPAC
- hydroperoxycyclohexane
- English name
- cyclohexyl hydroperoxide
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
Cyclohexyl hydroperoxideCyclohexane hydroperoxideHydroperoxide, cyclohexylZR4UH5MC4CEINECS 212-159-5DTXSID90227401RefChem:129681DTXCID50149892212-159-5hydroperoxycyclohexane766-07-4cyclohexaneperoxol
Show more names
1β-Hydroperoxycyclohexane1α-Hydroperoxycyclohexane
hydroperoxy-cyclohexaneUNII-ZR4UH5MC4CSCHEMBL221594SCHEMBL1758112SCHEMBL5051583SCHEMBL6670461SCHEMBL10863375SCHEMBL14236840
Database identifiers
- CAS
766-07-4- PubChem CID
- 69835
- DTXSID
DTXSID90227401- UNII
- ZR4UH5MC4C
- EC Number
- 212-159-5
- Nikkaji
- J193.137G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 57.5
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -20 °C · -20°C
- Boiling point
- 216.85 °C · 216.85°C (estimate)
- Density
- 1.015 · 1.0150
- refractive index
- 1.4638 · 1.4638 (estimate)
- FDA UNII
- 4 UH5MC4C · ZR4UH5MC4C
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
8 records
Compound notes
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