2-Pentanone, 4-hydroperoxy-4-methyl-
Basic information
- CAS
28056-59-9- Standard SMILES
CC(=O)CC(C)(C)OO- InChIKey
TVLYPTZVJFAYSU-UHFFFAOYSA-N- Molecular formula
- C6H12O3
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.07864424
Names & identifiers
- Preferred name
- 2-Pentanone, 4-hydroperoxy-4-methyl-
- IUPAC
- 4-hydroperoxy-4-methylpentan-2-one
- English name
- 4-hydroperoxy-4-methylpentan-2-one
- Molecular formula
- C6H12O3
- Molecular weight
- 132.16
Names & synonyms
Methyl isobutyl ketone peroxide28056-59-92-Pentanone, 4-hydroperoxy-4-methyl-EINECS 248-803-7DTXSID9067356KAYAMEK BRefChem:477825TRIGONOX HM 80DTXCID7037765ISOBUTYL METHYL KETONE PEROXIDE4-Hydroperoxy-4-methylpentan-2-onemethylisobutylketonperoxid
Show more names
4-hydroperoxy-4-methyl-2-pentanon4-hydroperoxy-4-methyl-2-Pentanone2-Pentanone, 4-hydroperoxy-4-methyl- (8CI,9CI)
SCHEMBL8608351NS00028413
Database identifiers
- CAS
28056-59-9- PubChem CID
- 119804
- DTXSID
DTXSID9067356- EC Number
- 248-803-7
- Nikkaji
- J1.325K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Boiling point
- 231.8 · 231.8±23.0 °C(Predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 12.19 · 12.19±0.50(Predicted)
- EPA Substance Registry System
- 2 · 2-Pentanone, 4-hydroperoxy-4-methyl- (28056-59-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
DOT Hazard Classification
Methyl isobutyl ketone peroxide, in solution with more than 9 percent by mass active oxygen
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pentanone, 4-hydroperoxy-4-methyl-: INACTIVE
Suppliers
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Related reactions
1 records
Compound notes
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