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
Hazard Codes: O, Xn
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
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.
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