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686-31-7

Basic Information
CAS No.: 686-31-7
Name: tert-Amyl peroxy-2-ethylhexanoate
Molecular Structure:
Molecular Structure of 686-31-7 (tert-Amyl peroxy-2-ethylhexanoate)
Formula: C13H26O3
Molecular Weight: 230.348
Synonyms: Peroxyhexanoicacid, 2-ethyl-, tert-pentyl ester (7CI,8CI);tert-Pentyl alcohol,2-ethylperoxyhexanoate (8CI);Esperox 570;Luperox 575;Lupersol 575;LupersolTA 75;Trigonox 121;Trigonox 121-50;Trigonox 121-50E;Trigonox 121C50;Trigonox 121LS50;tert-Amyl 2-ethylperhexanoate;tert-Amyl2-ethylperoxyhexanoate;tert-Amyl peroxy-2-ethylhexanoate;tert-Pentylperoxy-2-ethylhexanoate;
EINECS: 211-687-3
Density: 0.948 g/cm3
Melting Point: -62oC
Boiling Point: 277.8 °C at 760 mmHg
Flash Point: 112.8 °C
Solubility: Insoluble in water
Appearance: Colorless to pale yellow liquid
Transport Information: UN 2898
PSA: 35.53000
LogP: 3.86620
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Specification

The IUPAC name of tert-Amyl peroxy-2-ethylhexanoate is 2-methylbutan-2-yl 2-ethylhexaneperoxoate . With CAS registry number 686-31-7, it is also named as t-Amylperoxy 2-ethylhexanoate ; Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl ester ; tert-Amyl per-2-ethyl hexanoate ; tert-Amyl peroxy-2-ethyl hexanoate(technically pure) ; tert-Pentyl 2-ethylperoxyhexanoate ; 2-Ethylhexaneperoxoic acid 1,1-dimethylpropyl ester ; Amyl peroxy-2-ethylhexanoate .

The tert-Amyl peroxy-2-ethylhexanoate is colorless to pale yellow liquid. It is insoluble in water and soluble in common organic solvents. It may explode if exposed to heat, shock, or friction. Material must be stored and transported in temperature controlled container.  The product must be stored at 50°F (10°C) or below. tert-Amyl peroxy-2-ethylhexanoate explodes with great violence when rapidly heated to a critical temperature. The pure form is shock sensitive and detonable. It is useful as an initiator in the polymerization of vinyl monomers.

The other characteristics of this product can be summarized as: (1) #H bond acceptors: 4; (2) #H bond donors: 0; (3) Index of Refraction: 1.432; (4) Molar Refractivity: 67.46 cm3; (5) Molar Volume: 259.7 cm3; (6) Polarizability: 26.74×10-24 cm3; (7) Surface Tension: 29.6 dyne/cm; (8) Enthalpy of Vaporization: 51.64 kJ/mol; (9) Vapour Pressure: 0.00442 mmHg at 25°C; (10) Rotatable Bond Count: 9; (11) Exact Mass: 230.188195; (12) MonoIsotopic Mass: 230.188195; (12) Topological Polar Surface Area: 35.5; (13) Heavy Atom Count: 16. People can use the following data to convert to the molecule structure. SMILES: CCOOC(CCCC)C(=O)OC(C)(C)CC; InChI: InChI=1/C13H26O4/c1-6-9-10-11(17-15-8-3)12(14)16-13(4,5)7-2/h11H,6-10H2,1-5H3.

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