Product Name

  • Name

    Cumyl peroxyneodecanoate

  • EINECS 247-956-7
  • CAS No. 26748-47-0
  • Density 0.974 g/cm3
  • Solubility 41.11mg/L at 19.5℃
  • Melting Point
  • Formula C19H30O3
  • Boiling Point 375oC at 760 mmHg
  • Molecular Weight 306.44
  • Flash Point 108.1oC
  • Transport Information UN 2963
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 26748-47-0 (Cumyl peroxyneodecanoate)
  • Hazard Symbols
  • Synonyms Peroxyneodecanoicacid, a,a-dimethylbenzyl ester (8CI);Benzyl alcohol, a,a-dimethyl-, peroxyneodecanoate (8CI);Cumylperneodecanoate;Cumyl peroxyneodecanoate;Esperox 939M;Kayaester CND;Lup188;Luperox 188;Luperox 188M70;Lupersol 188;Lupersol 188M75;Percumyl ND;Trigonox 99;Trigonox 99W40;a-Cumyl peroxyneodecanoate;
  • PSA 35.53000
  • LogP 5.49950

Cumyl peroxyneodecanoate Specification

The CAS register number of Cumyl peroxyneodecanoate is 26748-47-0. It also can be called as Neodecaneperoxoic acid 1-methyl-1-phenylethyl ester and the IUPAC name about this chemical is 2-phenylpropan-2-yl 2-ethyl-2,5-dimethylhexaneperoxoate.

Physical properties about Cumyl peroxyneodecanoate are: (1)ACD/LogP: 6.53; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.53; (4)ACD/LogD (pH 7.4): 6.53; (5)ACD/BCF (pH 5.5): 53798.26; (6)ACD/BCF (pH 7.4): 53798.26; (7)ACD/KOC (pH 5.5): 84696.51; (8)ACD/KOC (pH 7.4): 84696.51; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.481; (13)Molar Refractivity: 89.78 cm3; (14)Molar Volume: 314.9 cm3; (15)Polarizability: 35.59x10-24cm3; (16)Surface Tension: 32.1 dyne/cm; (17)Enthalpy of Vaporization: 61.77 kJ/mol; (18)Boiling Point: 370.7 °C at 760 mmHg; (19)Vapour Pressure: 1.08E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)CCC(C)(CC)C(=O)OOC(C)(C)c1ccccc1
(2)InChI: InChI=1/C19H30O3/c1-7-19(6,14-13-15(2)3)17(20)21-22-18(4,5)16-11-9-8-10-12-16/h8-12,15H,7,13-14H2,1-6H3
(3)InChIKey: UTFZIZRBHWOWMD-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C19H30O3/c1-7-19(6,14-13-15(2)3)17(20)21-22-18(4,5)16-11-9-8-10-12-16/h8-12,15H,7,13-14H2,1-6H3
(5)Std. InChIKey: UTFZIZRBHWOWMD-UHFFFAOYSA-N

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