Bis(1-oxobutyl)peroxide
Basic information
- CAS
2697-95-2- Standard SMILES
CCCC(=O)OOC(=O)CCC- InChIKey
IWTBWSGPDGPTIB-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- Bis(1-oxobutyl)peroxide
- IUPAC
- butanoyl butaneperoxoate
- English name
- Dibutyryl peroxide
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19
Names & synonyms
Bis(1-oxobutyl)peroxide2697-95-2DTXSID30181472RefChem:329515DTXCID40103963butyryl peroxideDibutyryl peroxideDibutanoyl peroxideSCHEMBL297885Peroxide, bis(1-oxobutyl)
Database identifiers
- CAS
2697-95-2- PubChem CID
- 137684
- DTXSID
DTXSID30181472- EC Number
- 819-658-2
- Nikkaji
- J110.153F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Symbol(GHS)
- 2 · GHS02,GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 317 · H317-H319-H315-H413-H304-H242
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501
- REACH Registrations
- Inactive
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 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P261, P264, P264+P265, P272, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P331, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: butanoyl butaneperoxoate (EC: 819-658-2)
Hazard Classes and CategoriesOrg. Perox. D (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS07
- Hazard statements
- H317-H319-H315-H413-H304-H242
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501
Suppliers
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Related reactions
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Compound notes
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