{2-[(2-phenylpropan-2-yl)peroxy]propan-2-yl}benzene

• ChemBase ID: 110400
• Molecular Formular: C18H22O2
• Molecular Mass: 270.36608
• Monoisotopic Mass: 270.16197994
• SMILES: CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
• Canonical SMILES: CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C
• InChI: InChI=1S/C18H22O2/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
• InChIKey: XMNIXWIUMCBBBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(2-phenylpropan-2-yl)peroxy]propan-2-yl}benzene
• IUPAC Traditional name: {2-[(2-phenylpropan-2-yl)peroxy]propan-2-yl}benzene
• Synonyms: Bis(alpha,alpha-dimethylbenzyl) peroxide; Dicumyl peroxide; Dicumyl peroxide (Luperox® DCP); Bis(1-methyl-1-phenylethyl) peroxide; Bis(α,α-dimethylbenzyl) peroxide; Dicumyl peroxide; DICUMYL PEROXIDE; 过氧化二异丙苯; 过氧化二异丙苯 (Luperox® DCP); 双(1-甲基-1-苯乙基)过氧化物; 双(α,α-二甲基苄基)过氧化物; 过氧化二异丙苯

Database IDs

• CAS Number: 80-43-3
• EC Number: 201-279-3
• MDL Number: MFCD00036227
• Beilstein Number: 2056090
• PubChem SID: 162096509; 24862593; 24877837; 24859798
• PubChem CID: 6641

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.1519685
• LogD (pH = 7.4): 5.1519685
• Log P: 5.1519685
• Molar Refractivity: 81.433 cm^3
• Polarizability: 32.381596 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: flakes
• Melting Point: 38°C; 39-41 °C; 39-41 °C(lit.); 39-41°C
• Flash Point: 110 °C; 230 °F
• Density: 1.02 g/ml; 1.56; 1.56 g/mL at 25 °C(lit.)
• Vapor Pressure: 15.4 mmHg ( 38 °C)
• Vapor Density: 9.3 (vs air)

Safety Information

• RTECS: SD8150000
• European Hazard Symbols: Nature polluting (N); Oxidising (O); Irritant (Xi)
• UN Number: 3110; UN3110
• German water hazard class: 2
• Hazard Class: 5.2
• Packing Group: II
• Risk Statements: 7-36/38-51/53; R:7-36/38-51/53
• Safety Statements: 3/7-14-36/37/39-61; S:14-61-36/37/39-3/7
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H242-H315-H319; H242-H315-H319-H411
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P410-P501A; P220-P273-P280-P305 + P351 + P338-P410-P411 + P235; P220-P280-P305 + P351 + P338-P410 + P412-P420; P220-P280-P305 + P351 + P338-P410-P412-P420
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3110 5.2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (TLC); ≥99.0%; 98%
• Grade: purum
• Compostion: active oxygen content, ~6 wt. %
• Linear Formula: [C6H5C(CH3)2]2O2

DETAILS

Sigma Aldrich - 329541

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 531715

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