Basic information
- CAS
110056-10-5- Standard SMILES
CC1CCC2CC1(OO)C2(C)C- InChIKey
QVRCRSYOVMLBKS-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
Overview
The solid or liquid peroxide is sensitive to heat and contamination.
Names & identifiers
- Preferred name
- 1-Pinanyl hydroperoxide
- IUPAC
- 1-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptane
Names & synonyms
Pinanyl hydroperoxidePinan-1-yl hydroperoxidePinane hydroperoxide1-Pinanyl hydroperoxideGLY384MEU8J1.326I5-Hydroperoxy-4,7,7-trimethylbicyclo(3.1.1)heptane2,6,6-Trimethylbicyclo(3.1.1)heptan-1-yl hydroperoxide110056-10-5PINANE HYDROPEROXIDE, (TECHNICALLY PURE)PINANE HYDROPEROXIDE, [TECHNICALLY PURE]RefChem:435757
Show more names
CIS-PINANE HYDROPEROXIDEDTXSID9027940DTXCID901773734248-969-028324-52-985873-97-8UNII-GLY384MEU8pinanylhydroperoxidSCHEMBL1304641
Database identifiers
- CAS
110056-10-5、28324-52-9、85873-97-8- PubChem CID
- 14717570
- UNII
- GLY384MEU8
- EC Number
- 248-969-0
- Nikkaji
- J1.326I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Experimental & physicochemical properties
Physical DescriptionThe solid or liquid peroxide is sensitive to heat and contamination.
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
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
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)]:
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity Profile
Most alkyl monohydroperoxides are liquid, the explosivity of the lower members (e.g., methyl hydroperoxide, or possibly due to traces of the dialkyl peroxides) decreasing with increasing chain length and branching [Bretherick 2nd ed. p10. 1979].
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesNot Classified
Safety & protection
Fire FightingExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
First AidExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Related reactions
2 records
Compound notes
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