Name: TERT-AMYLPEROXY 2-ETHYLHEXYL CARBONATE
SKU: 70833-40-8

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Basic Information

Molecular Structure:
CAS No.:	70833-40-8
Name:	TERT-AMYLPEROXY 2-ETHYLHEXYL CARBONATE
Article Data:	1

Formula:	C₁₄H₂₈O₄
Molecular Weight:	260.374
Synonyms:	Carbonoperoxoic acid,OO-(1,1-dimethylpropyl) O-(2-ethylhexyl) ester;Esperox C 59;Carbonoperoxoic acid, OO-(1,1-dimethylpropyl) O-(2-ethylhexyl) ester;O-(2-Ethylhexyl) O,O-tert-pentyl peroxycarbonate;2-ethylhexyl 2-methylbutan-2-yloxy carbonate;Lupersol TAEC;tert-amylperoxy-2-ethylhexyl carbonate;
EINECS:	274-919-2
Density:	0.942 g/cm³
Boiling Point:	289.7 °C at 760 mmHg
Flash Point:	118 °C
Solubility:	212.5-900000μg/L at 20℃
Hazard Symbols:	O; Xi
Risk Codes:	7-36/38-38-8
Safety:	7-14-26-36/37/39-47-17
PSA:	44.76000
LogP:	4.47620

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Specification

The Tert-amylperoxy 2-ethylhexyl carbonate, with CAS registry number 70833-40-8, has the systematic name of 3-[({[(2-methylbutan-2-yl)peroxy]carbonyl}oxy)methyl]heptane. And the chemical formula of this chemical is C₁₄H₂₈O₄. What's more, its EINECS is 274-919-2.

Physical properties of Tert-amylperoxy 2-ethylhexyl carbonate: (1)ACD/LogP: 6.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.1; (4)ACD/LogD (pH 7.4): 6.1; (5)ACD/BCF (pH 5.5): 25453.24; (6)ACD/BCF (pH 7.4): 25453.24; (7)ACD/KOC (pH 5.5): 49569.69; (8)ACD/KOC (pH 7.4): 49569.69; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 72.09 cm³; (15)Molar Volume: 276.2 cm³; (16)Polarizability: 28.58×10^-24cm³; (17)Surface Tension: 29.8 dyne/cm; (18)Density: 0.942 g/cm³; (19)Flash Point: 118 °C; (20)Enthalpy of Vaporization: 52.9 kJ/mol; (21)Boiling Point: 289.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00216 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Tert-amylperoxy 2-ethylhexyl carbonate may cause fire. When it contact with combustible material, it may cause fire, so keep it away from combustible material. What's more, you should keep its container tightly closed and keep it away from ... (a list of incompatible materials will follow). And this chemical irritates to eyes and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(CC)CCCC)OOC(CC)(C)C
(2)InChI: InChI=1/C14H28O4/c1-6-9-10-12(7-2)11-16-13(15)17-18-14(4,5)8-3/h12H,6-11H2,1-5H3
(3)InChIKey: HTCRKQHJUYBQTK-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C14H28O4/c1-6-9-10-12(7-2)11-16-13(15)17-18-14(4,5)8-3/h12H,6-11H2,1-5H3
(5)Std. InChIKey: HTCRKQHJUYBQTK-UHFFFAOYSA-N