1,1-bis[(2-methylbutan-2-yl)peroxy]cyclohexane

• ChemBase ID: 147355
• Molecular Formular: C16H32O4
• Molecular Mass: 288.42288
• Monoisotopic Mass: 288.2300595
• SMILES: CCC(C)(C)OOC1(CCCCC1)OOC(C)(C)CC
• Canonical SMILES: CCC(OOC1(CCCCC1)OOC(CC)(C)C)(C)C
• InChI: InChI=1S/C16H32O4/c1-7-14(3,4)17-19-16(12-10-9-11-13-16)20-18-15(5,6)8-2/h7-13H2,1-6H3
• InChIKey: IMYCVFRTNVMHAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-bis[(2-methylbutan-2-yl)peroxy]cyclohexane
• IUPAC Traditional name: 1,1-bis[(2-methylbutan-2-yl)peroxy]cyclohexane
• Synonyms: 1,1-Bis(tert-amylperoxy)cyclohexane solution; Luperox® 531M80, 1,1-Bis(tert-amylperoxy)cyclohexane solution; 1,1-二( 叔戊基过氧)环己烷 溶液; Luperox® 531M80, 1,1-双（ 叔戊过氧）环己烷 溶液

Database IDs

• CAS Number: 15667-10-4
• MDL Number: MFCD01863712
• PubChem SID: 162241544; 24873700
• PubChem CID: 85044

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.4411626
• LogD (pH = 7.4): 5.4411626
• Log P: 5.4411626
• Molar Refractivity: 79.2878 cm^3
• Polarizability: 32.241795 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 172.4 °F; 78 °C
• Density: 0.898 g/mL at 25 °C
• Refractive Index: n20/D 1.442

Safety Information

• European Hazard Symbols: Oxidising (O); Toxic (T)
• UN Number: 3103
• German water hazard class: 3
• Hazard Class: 5.2
• Risk Statements: 45-7-36-65
• Safety Statements: 53-3/7-14-26-36/37/39-45-62
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H242-H304-H319-H340-H350
• GHS Precautionary statements: P201-P220-P280-P301 + P310-P305 + P351 + P338-P308 + P313
• 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
• Storage Temperature: 2-8°C

Product Information

• Concentration: 80 wt. % in odorless mineral spirits
• Linear Formula: C6H10[OOC(CH3)2C2H5]2

DETAILS

Sigma Aldrich - 513571

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