2-(tert-butylperoxy)-2-methylpropane

• ChemBase ID: 107461
• Molecular Formular: C8H18O2
• Molecular Mass: 146.22732
• Monoisotopic Mass: 146.13067982
• SMILES: CC(C)(C)OOC(C)(C)C
• Canonical SMILES: CC(OOC(C)(C)C)(C)C
• InChI: InChI=1S/C8H18O2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
• InChIKey: LSXWFXONGKSEMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butylperoxy)-2-methylpropane
• IUPAC Traditional name: T-butyl-peroxide
• Synonyms: tert-BUTYL PEROXIDE; Di-tert-butyl peroxide; tert-Butyl peroxide; Di-tert-butyl peroxide; Luperox® DI, tert-Butyl peroxide; 二叔丁基过氧化物; 叔丁基过氧化物; 叔丁基过氧化物 (Luperox® DI)

Database IDs

• CAS Number: 110-05-4
• EC Number: 203-733-6
• MDL Number: MFCD00008803
• Beilstein Number: 1735581
• PubChem SID: 162093458; 24850244
• PubChem CID: 8033
• Chemspider ID: 7742
• Wikipedia Title: Di-tert-butyl_peroxide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4166384
• LogD (pH = 7.4): 2.4166384
• Log P: 2.4166384
• Molar Refractivity: 41.705 cm^3
• Polarizability: 16.847076 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-30°C
• Boiling Point: 109-110 °C(lit.); 109-110 °C
• Flash Point: 1 °C; 33.8 °F
• Density: 0.796 g/mL at 25 °C(lit.); 0.8 g/cm3
• Refractive Index: n20/D 1.3891(lit.)
• Vapor Pressure: 40 mmHg ( 20 °C)

Safety Information

• RTECS: ER2450000
• European Hazard Symbols: Flammable (F); Oxidising (O)
• UN Number: 3107
• German water hazard class: 1
• Hazard Class: 5.2
• Risk Statements: 7-11; R:9-10-18
• Safety Statements: 3/7-14-16-36/37/39; S:9-13-16-27-29
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H242
• GHS Precautionary statements: P210-P220-P280-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 3107 5.2
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Linear Formula: (CH3)3COOC(CH3)3

DETAILS

Sigma Aldrich - 168521

Packaging
1 L in poly bottle
5, 250 mL in poly bottle
Legal Information
Product of Arkema Inc.
Luperox is a registered trademark of Arkema Inc.