Basic information
- CAS
23448-68-2- Standard SMILES
CCCCC(=O)OCCCC(OOC(C)(C)C)OOC(C)(C)C- InChIKey
UVWVIEBLYRKAFQ-UHFFFAOYSA-N- Molecular formula
- C17H34O6
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.2355388
Names & identifiers
- Preferred name
- Pentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]butyl ester
- IUPAC
- 4,4-bis(tert-butylperoxy)butyl pentanoate
- English name
- Valeric acid 4,4-bis(tert-butylperoxy)butyl ester
- Molecular formula
- C17H34O6
- Molecular weight
- 334.45
Names & synonyms
Valeric acid, 4,4-bis(tert-butyldioxy)butyl esterPentanoic acid, 4,4-bis((1,1-dimethylethyl)dioxy)butyl esterPentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]butyl esterRefChem:8599784,4-Bis(tert-butylperoxy)butyl valerate23448-68-24,4-bis(tert-butylperoxy)butyl pentanoateValeric acid 4,4-bis(tert-butylperoxy)butyl esterSCHEMBL148343DTXSID8066894UVWVIEBLYRKAFQ-UHFFFAOYSA-N4,4-di-t-butyl peroxy-n-butyl valerate
Database identifiers
- CAS
23448-68-2- PubChem CID
- 90100
- DTXSID
DTXSID8066894- Nikkaji
- J422.115J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- EPA Substance Registry System
- 4 · 4,4-Bis(tert-butylperoxy)butyl valerate (23448-68-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPentanoic acid, 4,4-bis[(1,1-dimethylethyl)dioxy]butyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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