4-tert-butylcyclohexyl {[(4-tert-butylcyclohexyl)oxy]carbonyl}oxy carbonate

• ChemBase ID: 139267
• Molecular Formular: C22H38O6
• Molecular Mass: 398.53352
• Monoisotopic Mass: 398.26683894
• SMILES: CC(C)(C)C1CCC(CC1)OC(=O)OOC(=O)OC1CCC(CC1)C(C)(C)C
• Canonical SMILES: O=C(OC1CCC(CC1)C(C)(C)C)OOC(=O)OC1CCC(CC1)C(C)(C)C
• InChI: InChI=1S/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3
• InChIKey: NOBYOEQUFMGXBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-tert-butylcyclohexyl {[(4-tert-butylcyclohexyl)oxy]carbonyl}oxy carbonate
• IUPAC Traditional name: 4-tert-butylcyclohexyl {[(4-tert-butylcyclohexyl)oxy]carbonyl}oxy carbonate
• Synonyms: Perkadox 16; Bis(tert-butylcyclohexyl) peroxydicarbonate; 双(4-叔丁基环己基)过氧化二碳酸酯

Database IDs

• CAS Number: 15520-11-3
• EC Number: 239-557-1
• MDL Number: MFCD00137256
• Beilstein Number: 2176683
• PubChem SID: 162233515; 24865251
• PubChem CID: 84964

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 7.313015
• LogD (pH = 7.4): 7.313015
• Log P: 7.313015
• Molar Refractivity: 105.0544 cm^3
• Polarizability: 42.73445 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Oxidising (O)
• UN Number: 3114
• German water hazard class: 1
• Hazard Class: 5.2
• Risk Statements: 7
• Safety Statements: 3-7-17-36/37/39
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H242
• GHS Precautionary statements: P220-P280-P410-P412
• Personal Protective Equipment: 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 3114 5.2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (RT)
• Grade: technical
• Impurities: ≥3% Oxygen (active)
• Empirical Formula (Hill Notation): C22H38O6

DETAILS

Sigma Aldrich - 40451

Application
Initiator for the polymerization of acrylic esters