2-[(2-hydroperoxybutan-2-yl)peroxy]butane-2-peroxol

• ChemBase ID: 128335
• Molecular Formular: C8H18O6
• Molecular Mass: 210.22492
• Monoisotopic Mass: 210.1103383
• SMILES: CCC(C)(OO)OOC(C)(CC)OO
• Canonical SMILES: CCC(OOC(OO)(CC)C)(OO)C
• InChI: InChI=1S/C8H18O6/c1-5-7(3,11-9)13-14-8(4,6-2)12-10/h9-10H,5-6H2,1-4H3
• InChIKey: WFUGQJXVXHBTEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-hydroperoxybutan-2-yl)peroxy]butane-2-peroxol
• IUPAC Systematic name: 2-[(2-Hydroperoxybutan-2-yl)peroxy]butane-2-peroxol
• IUPAC Traditional name: methyl ethyl ketone peroxide
• Synonyms: Luperox® DHD-9, 2-Butanone peroxide solution; Ethyl methyl ketone peroxide; Methyl ethyl ketone peroxide; 2-Butanone peroxide; 2-Butanone peroxide solution; Methyl ethyl ketone peroxide solution; Luperox® DDM-9, 2-Butanone peroxide solution; Luperox® Delta X-9, 2-Butanone peroxide solution; Ketonox; Mepox; Thermacure; Methyl ethyl ketone peroxide; Luperox® DHD-9，2-过氧化丁酮 溶液; 甲基乙基酮过氧化物; 过氧化甲乙酮; 2-过氧化丁酮; 2-过氧化丁酮 溶液; 过氧化甲乙酮 溶液; Luperox® DDM-9，2-过氧化丁酮 溶液; 2-过氧化丁酮 (Luperox® Delta X-9) 溶液

Database IDs

• CAS Number: 1338-23-4
• EC Number: 215-661-2
• MDL Number: MFCD00042641
• Beilstein Number: 1759757
• PubChem SID: 24872944; 24874434; 162222643; 24873688; 24845732
• PubChem CID: 3672772
• Chemspider ID: 2905622
• MeSH Name: Methyl+ethyl+ketone+peroxide
• Wikipedia Title: Methyl_ethyl_ketone_peroxide

CALCULATED PROPERTIES

• Acid pKa: 11.274559
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 2.2763245
• LogD (pH = 7.4): 2.2762673
• Log P: 2.2763252
• Molar Refractivity: 47.6636 cm^3
• Polarizability: 19.648592 Å^3
• Polar Surface Area: 77.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Flash Point: 132.8 °F; 138.2 °F; 165.2 °F; 188.6 °F; 56 °C; 59 °C; 74 °C; 82 °C; 87 °C
• Density: 0.99 g/mL at 25 °C; 1 g/mL at 25 °C; 1.005 g/mL at 25 °C; 1.053 g/mL at 20 °C(lit.); 1.170 g cm^-3
• Refractive Index: n20/D 1.432; n20/D 1.437; n20/D 1.455

Safety Information

• European Hazard Symbols: Corrosive (C); Nature polluting (N); Oxidising (O)
• UN Number: 3105
• German water hazard class: 3
• Hazard Class: 5.2
• Risk Statements: 7-22-34; 7-22-34-50/53
• Safety Statements: 3/7-14-26-36/37/39-45; 3/7-14-26-36/37/39-45-61
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• Main Hazard: Explosive, Toxic
• Explosive Velocity: 5.2 km s^-1
• Shock Sensitivity: High
• GHS Hazard statements: H226-H242-H302-H314; H226-H242-H302-H314-H360Df-H410; H242-H302-H314; H302-H314
• GHS Precautionary statements: P201-P220-P273-P280-P305 + P351 + P338-P310; P220-P280-P305 + P351 + P338-P310-P403 + P235-P410; P220-P280-P305 + P351 + P338-P310-P410-P411 + P235; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3105 5.2
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~31 wt. % in 2,2,4-trimethyl-1,3-pentanediol diisobutyrate; ~32 wt. % in phthalate-free plasticizer mixture; ~35 wt. % in 2,2,4-trimethyl-1,3-pentanediol diisobutyrate
• Grade: technical
• Compostion: available oxygen, 8-9%
• Contains: 2,2,4-trimethyl-1,3-pentanediol-diisobutyrate as stabilizer; 50-60% diacetone alcohol + phthalic acid ester as plasticizer
• Linear Formula: C2H5C(OOH)(CH3)OOC(OOH)(CH3)C2H5

DETAILS

Sigma Aldrich - 743003

Application
Reactant for:
• Studies of the adiabatic runaway reaction of Me Et Ketone peroxide1
• Quantitation of metal ions in archaeological glass via abrasive stripping square-wave voltammetry2
• Imaging of hydrogen peroxide and hydrogen peroxide-scavenging substances by photon emission3
• Synthesis of oligonucleotides via phosphoramidite method4
• Oxidation of nucleoside phosphites into phosphates5
• Comparing the relative effectiveness of human plasma glutathione peroxidase as a catalyst for reduction of hydroperoxidases6Analyte for direct electrochemical catalystis of immobilized Hb in an ethanol-water mixture7

Sigma Aldrich - 524670

Application
Polymerization initiator
Packaging
100, 500 mL in poly bottle
Legal Information
Product of Arkema Inc.
Luperox is a registered trademark of Arkema Inc.

Sigma Aldrich - 513369

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

Sigma Aldrich - 495050

Packaging
100, 500 mL in poly bottle
4 L in poly bottle
Legal Information
Product of Arkema Inc.
Luperox is a registered trademark of Arkema Inc.

Sigma Aldrich - 04390

Application
Reactant for:
• Studies of the adiabatic runaway reaction of Me Et Ketone peroxide1
• Quantitation of metal ions in archaeological glass via abrasive stripping square-wave voltammetry2
• Imaging of hydrogen peroxide and hydrogen peroxide-scavenging substances by photon emission3
• Synthesis of oligonucleotides via phosphoramidite method4
• Oxidation of nucleoside phosphites into phosphates5
• Comparing the relative effectiveness of human plasma glutathione peroxidase as a catalyst for reduction of hydroperoxidases6Analyte for direct electrochemical catalystis of immobilized Hb in an ethanol-water mixture7