2,2-bis(tert-butylperoxy)butane

• ChemBase ID: 137938
• Molecular Formular: C12H26O4
• Molecular Mass: 234.33244
• Monoisotopic Mass: 234.18310931
• SMILES: CCC(C)(OOC(C)(C)C)OOC(C)(C)C
• Canonical SMILES: CCC(OOC(C)(C)C)(OOC(C)(C)C)C
• InChI: InChI=1S/C12H26O4/c1-9-12(8,15-13-10(2,3)4)16-14-11(5,6)7/h9H2,1-8H3
• InChIKey: HQOVXPHOJANJBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-bis(tert-butylperoxy)butane
• IUPAC Traditional name: 2,2-bis(tert-butylperoxy)butane
• Synonyms: 2,2-Bis(tert-butylperoxy)butane solution; 2,2-二(叔丁基过氧)丁烷 溶液

Database IDs

• CAS Number: 2167-23-9
• MDL Number: MFCD00048243
• PubChem SID: 162232198; 24867697
• PubChem CID: 221260

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.778402
• LogD (pH = 7.4): 3.778402
• Log P: 3.778402
• Molar Refractivity: 62.9722 cm^3
• Polarizability: 25.613474 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ≥80 °C (SADT)
• Flash Point: 118.4 °F; 48 °C
• Density: 0.88 g/mL at 25 °C
• Refractive Index: n20/D 1.445

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 3103
• German water hazard class: 2
• Hazard Class: 5.2
• Risk Statements: 7-10-37/38-41
• Safety Statements: 3/7-14-26-36/37/39
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H242-H315-H318-H335
• GHS Precautionary statements: P220-P261-P280-P305 + P351 + P338-P410-P411 + P235
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3103 5.2

Product Information

• Concentration: 50 wt. % in mineral oil
• Compostion: active oxygen content, 6.8 wt. %
• t1/2: 10 hr(92 °C)
• Linear Formula: C2H5C[OOC(CH3)3]2CH3

DETAILS

Sigma Aldrich - 441694

Application
Free radical polymerization initiator.Initiator for polymerization and copolymerization of styrene, ethylene and acrylics in solution, suspension and bulk polymerizations.