2-methyl-2-[(2-methylbutan-2-yl)peroxy]butane

• ChemBase ID: 135460
• Molecular Formular: C10H22O2
• Molecular Mass: 174.28048
• Monoisotopic Mass: 174.16197994
• SMILES: CCC(C)(C)OOC(C)(C)CC
• Canonical SMILES: CCC(OOC(CC)(C)C)(C)C
• InChI: InChI=1S/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3
• InChIKey: JJRDRFZYKKFYMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-[(2-methylbutan-2-yl)peroxy]butane
• IUPAC Traditional name: 2-methyl-2-[(2-methylbutan-2-yl)peroxy]butane
• Synonyms: Di-tert-amyl peroxide; Luperox® DTA, Di-tert-amyl peroxide; 二叔戊基过氧化物; Luperox® DTA, 双叔戊过氧化物

Database IDs

• CAS Number: 10508-09-5
• EC Number: 234-042-8
• MDL Number: MFCD01708884
• PubChem SID: 24873689; 162229734
• PubChem CID: 25320

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.461683
• LogD (pH = 7.4): 3.461683
• Log P: 3.461683
• Molar Refractivity: 50.753 cm^3
• Polarizability: 20.531233 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 146 °C(lit.)
• Flash Point: 25 °C; 77 °F
• Density: 0.818 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.409(lit.)

Safety Information

• RTECS: SD8300000
• European Hazard Symbols: Oxidising (O); Harmful (Xn)
• UN Number: 3107
• German water hazard class: 2
• Hazard Class: 5.2
• Risk Statements: 7-22-38
• Safety Statements: 7-17-36/37/39-47
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H242-H302-H315
• GHS Precautionary statements: P220-P280-P410-P412
• 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

Product Information

• Purity: 97%
• Linear Formula: C2H5C(CH3)2OOC(CH3)2C2H5

DETAILS

Sigma Aldrich - 513407

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