tert-Butyl peroctoate
Basic information
- CAS
13467-82-8- Standard SMILES
CCCCCCCC(=O)OOC(C)(C)C- InChIKey
BWSZXUOMATYHHI-UHFFFAOYSA-N- Molecular formula
- C12H24O3
- Average molar mass
- 216.32 g/mol
- Monoisotopic mass
- 216.17254462
Names & identifiers
- Preferred name
- tert-Butyl peroctoate
- IUPAC
- tert-butyl octaneperoxoate
- English name
- tert-butyl octaneperoxoate
- Molecular formula
- C12H24O3
- Molecular weight
- 216.32
Names & synonyms
tert-Butyl peroctoateKayaester Otert-Butyl percaprylatetert-Butyl peroctanoateKayaester O 5013467-82-8tert-Butyl peroxyoctoatetert-Butyl peroxyoctanoateOctaneperoxoic acid, 1,1-dimethylethyl esterPeroxyoctanoic acid, tert-butyl esterEINECS 236-720-9t-Butyl peroctoate
Show more names
PEROXYOCTANOICACIDtert-butyl octaneperoxoatet-Butyl Per-2-ethylhexanoateOctaneperoxoic acid tert-butyl
UNII-E79P30T9E2BRN 1908625LUPERSOL TBPOE79P30T9E2t-Butyl peroxyeoctanoateNSC-615453DTXSID4065490BUTYL PEROCTANOATE, TERT-
Database identifiers
- CAS
13467-82-8- PubChem CID
- 83499
- DTXSID
DTXSID4065490- UNII
- E79P30T9E2
- EC Number
- 236-720-9
- Nikkaji
- J4.396F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 296.74 °C · 296.74°C (rough estimate)
- Density
- 1.0316 · 1.0316 (rough estimate)
- refractive index
- 1.441 · 1.4410 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 79 P30T9E2 · E79P30T9E2
- EPA Substance Registry System
- 1 · Octaneperoxoic acid, 1,1-dimethylethyl ester (13467-82-8)
- 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
Regulatory Information
Chemical: Octaneperoxoic acid, 1,1-dimethylethyl ester
Octaneperoxoic acid, 1,1-dimethylethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationOctaneperoxoic acid, 1,1-dimethylethyl ester: ACTIVE
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Related reactions
3 records
Compound notes
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