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34443-12-4

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Basic Information
CAS No.: 34443-12-4
Name: tert-Butylperoxy 2-ethylhexyl carbonate
Article Data: 3
Molecular Structure:
Molecular Structure of 34443-12-4 (tert-Butylperoxy 2-ethylhexyl carbonate)
Formula: C13H26O4
Molecular Weight: 246.347
Synonyms: Peroxycarbonicacid, OO-tert-butyl O-(2-ethylhexyl) ester (8CI);Esperox C 496;O-(2-Ethylhexyl) OO-tert-butyl peroxycarbonate;Perbutyl E;Trigonox 117;
EINECS: 252-029-5
Density: 0.948 g/cm3
Melting Point: -50 °C
Boiling Point: 271.835 °C at 760 mmHg
Flash Point: 109.533 °C
Solubility: 5.39mg/L at 20.3℃
Appearance: clear liquid
Hazard Symbols: OxidizingO,HarmfulXn
Risk Codes: 8-21-38-7
Safety: 7-17-36/37/39-47-14
PSA: 44.76000
LogP: 4.08610
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Chemistry

Molecule structure of tert-Butylperoxy 2-ethylhexyl carbonate (CAS NO.34443-12-4):

IUPAC Name: 2-Ethylhexyl (2-methylpropan-2-yl)oxy carbonate 
Molecular Weight: 246.34314 [g/mol]
Molecular Formula: C13H26O4 
Index of Refraction: 1.432
Molar Refractivity: 67.46 cm3
Molar Volume: 259.7 cm3
Surface Tension: 29.6 dyne/cm
Density: 0.948 g/cm3 
Melting Point: -50 °C
Flash Point: 109.5 °C
Enthalpy of Vaporization: 51.01 kJ/mol
Boiling Point: 271.8 °C at 760 mmHg
Vapour Pressure: 0.0063 mmHg at 25 °C 
Storage Temp.: refrigerator (+4 °C)
XLogP3-AA: 4.7
H-Bond Acceptor: 4
Rotatable Bond Count: 10
Exact Mass: 246.183109
MonoIsotopic Mass: 246.183109
Topological Polar Surface Area: 44.8
Heavy Atom Count: 17
Canonical SMILES: CCCCC(CC)COC(=O)OOC(C)(C)C
InChI: InChI=1S/C13H26O4/c1-6-8-9-11(7-2)10-15-12(14)16-17-13(3,4)5/h11H,6-10H2,1-5H3
InChIKey: BRQMAAFGEXNUOL-UHFFFAOYSA-N
EINECS: 252-029-5

Safety Profile

Hazard Codes: OxidizingO, HarmfulXn
Risk Statements: 8-21-38-7 
R8 :Contact with combustible material may cause fire. 
R21:Harmful in contact with skin. 
R38:Irritating to skin. 
R7:May cause fire.
Safety Statements: 7-17-36/37/39-47-14 
S7:Keep container tightly closed. 
S17:Keep away from combustible material. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S47:Keep at temperature not exceeding... 
S14:Keep away from ... (a list of incompatible materials will follow).
RIDADR: UN 3105 5.2
WGK Germany: 3

Specification

 tert-Butylperoxy 2-ethylhexyl carbonate (CAS NO.34443-12-4) is also named as Carbonoperoxoic acid, OO-(1,1-dimethylethyl) O-(2-ethylhexyl) ester ; OO-tert-butyl O-(2-ethylhexyl) peroxycarbonate ; O,O-t-Butyl O-(2-ethylhexyl) monoperoxy carbonate . tert-Butylperoxy 2-ethylhexyl carbonate (CAS NO.34443-12-4) is clear liquid.