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109-13-7

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Basic Information
CAS No.: 109-13-7
Name: tert-Butyl peroxyisobutyrate
Article Data: 13
Molecular Structure:
Molecular Structure of 109-13-7 (tert-Butyl peroxyisobutyrate)
Formula: C8H16 O3
Molecular Weight: 160.213
Synonyms: Peroxyisobutyricacid, tert-butyl ester (6CI,7CI,8CI); Chemex IB; Esperox 24M; Kayaester I;Lupersol 8; Lupersol 80; Perbutyl IB; Trigonox 41C75; tert-Butyl2-methylpropaneperoxoate; tert-Butyl perisobutyrate; tert-Butylperoxyisobutyrate
EINECS: 203-650-5
Density: 0.937 g/cm3
Melting Point: -46oC
Boiling Point: 165.4 °C at 760 mmHg
Flash Point: 50.6 °C
Solubility: 3.96g/L at 20℃
Hazard Symbols: Flammable, dangerous fire risk. Oxidizing agent.
Safety: An explosive and flammable peroxide. Handle very carefully in concentrated solutions. When heated to decomposition it emits acrid smoke and irritating vapors.
Transport Information: UN 2142/2562
PSA: 35.53000
LogP: 1.91570
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Chemistry

Molecular Structure of tert-Butyl peroxyisobutyrate (CAS NO.109-13-7):

EINECS: 203-650-5
IUPAC Name: tert-Butyl 2-methylpropaneperoxoate 
Molecular Formula: C8H16O3
Molecular Weight: 160.210840 g/mol
XLogP3-AA: 2.2
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: CC(C)C(=O)OOC(C)(C)C
InChI: InChI=1S/C8H16O3/c1-6(2)7(9)10-11-8(3,4)5/h6H,1-5H3
InChIKey: PFBLRDXPNUJYJM-UHFFFAOYSA-N
Boiling Point: 165 °C
Vapor Pressure:1.9 (25 °C)
Density: 0.915 g/cm3 (20 °C)
Partition Coefficient: 2.46
Heat Of Vaporization: 40.2 kJ/mol
Refractive Index: 1.411 (20 °C)
Melting Point: -46 °C

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of tert-Butyl peroxyisobutyrate (CAS NO.109-13-7):
RIDADR: UN 2142/2562
HazardClass: 5.2
PackingGroup: II
An explosive and flammable peroxide. Handle very carefully in concentrated solutions. When heated to decomposition it emits acrid smoke and irritating vapors.

Standards and Recommendations

DOT Classification:  Forbidden

Specification

  tert-Butyl peroxyisobutyrate with CAS registry number of 109-13-7 is also known as Propaneperoxoic acid, 2-methyl-, 1,1-dimethylethyl ester ; tert-Butyl peroxyisobutyrate, >77% in solution [Forbidden] .