2,5-bis(tert-butylperoxy)-2,5-dimethylhexane

• ChemBase ID: 137766
• Molecular Formular: C16H34O4
• Molecular Mass: 290.43876
• Monoisotopic Mass: 290.24570957
• SMILES: CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
• Canonical SMILES: CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C
• InChI: InChI=1S/C16H34O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h11-12H2,1-10H3
• InChIKey: DMWVYCCGCQPJEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane
• IUPAC Traditional name: varox
• Synonyms: Luperox® 101PP20; 2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane, blend with polypropylene and silica; 2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane, blend with calcium carbonate and silica; Luperox® 101XL45, 2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane, blend with calcium carbonate and silica; 2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane; Luperox® 101, 2,5-Bis(tert-butylperoxy)-2,5-dimethylhexane; 2,5-二(叔丁基过氧)-2,5-二甲基己烷，混合聚丙烯和二氧化硅; 2,5-二甲基-2,5-二(叔丁基过氧基)己烷，与碳酸钙和二氧化硅的混合物; Luperox® 101XL, 2,5-Bis(tert-butylperoxy)-2,5-双（叔丁基）-2,5-二甲基己烷, 与碳酸钙及二氧化硅混合; 2,5-二(叔丁基过氧)-2,5-二甲基己烷; Luperox® 101, 2,5-双（叔丁基）-2,5-二甲基己烷

Database IDs

• CAS Number: 78-63-7
• MDL Number: MFCD00053715
• PubChem SID: 24864204; 24873698; 162232027
• PubChem CID: 6545

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.5254583
• LogD (pH = 7.4): 4.5254583
• Log P: 4.5254583
• Molar Refractivity: 81.4538 cm^3
• Polarizability: 32.9672 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146-153 °C(lit.)
• Boiling Point: 55-57 °C/7 mmHg(lit.)
• Flash Point: 149 °F; 65 °C
• Density: 0.877 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.423(lit.)

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 3105; 3108
• German water hazard class: 3
• Hazard Class: 5.2
• Risk Statements: 7-36/37/38; 7-37/38-41
• Safety Statements: 14.1-26-3/7-36/37/39; 3/7-14-26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H242-H315-H319; H242-H315-H319-H335
• GHS Precautionary statements: P220-P261-P280-P305 + P351 + P338-P410-P411 + P235; P220-P280-P305 + P351 + P338-P410-P411 + P235-P420
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3105 5.2; UN 3108 5.2
• Storage Temperature: 2-8°C

Product Information

• Purity: 90%
• Concentration: ~20 wt. % in polypropylene and silica; ~45 wt. %
• Grade: technical grade
• Compostion: active oxygen content, >10 wt. %
• t1/2: 10 hr(108 °C)
• Linear Formula: [(CH3)3COOC(CH3)2CH2-]2

DETAILS

Sigma Aldrich - 513482

Application
Polymerization initiator
Legal Information
Product of Arkema Inc.
Luperox is a registered trademark of Arkema Inc.

Sigma Aldrich - 388092

Packaging
100, 500 mL in poly bottle
Legal Information
Product of Arkema Inc.
Luperox is a registered trademark of Arkema Inc.
Application
Initiates degradation of polypropylene, monomer scavenger in styrene polymerization. Free radical polymerization initiator.
Features and Benefits
Used to control melt index in polypropylene processing.

Sigma Aldrich - 513520

Application
Polymerization initiator
Packaging
500 g in poly bottle
Legal Information
Product of Arkema Inc.
Luperox is a registered trademark of Arkema Inc.