DINONYLPHENOL

The Phenol, 2,4-dinonyl-, with the CAS registry number of 137-99-5, is also known as 2,4-Dinonylphenol. Its EINECS registry number is 205-310-1. This chemical's molecular formula is C₂₄H₄₂O and molecular weight is 346.59. What's more, its IUPAC name is 2,4-Di(nonyl)phenol.

Physical properties about the Phenol, 2,4-dinonyl- are: (1)ACD/LogP: 10.90; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.9; (4)ACD/LogD (pH 7.4): 10.9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 112.09 cm³; (15)Molar Volume: 384.5 cm³; (16)Surface Tension: 34.5 dyne/cm; (17)Density: 0.901 g/cm³; (18)Flash Point: 214.7 °C; (19)Enthalpy of Vaporization: 74.25 kJ/mol; (20)Boiling Point: 455.3 °C at 760 mmHg; (21)Vapour Pressure: 6.57E-09 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2,4-Dinonyl-6-(3,5-di-tert-butyl-4-hydroxybenzyl)phenol. This reaction needs reagent HClO₄. Meanwhile, it needs solvent Benzene. The reaction time is 90 min with reaction temperature of 50 °C. The yield is about 100 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1CCCCCCCCC)CCCCCCCCC
(2) InChI: InChI=1/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-20-24(25)23(21-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3
(3) InChIKey: FDAJTLLBHNHECW-UHFFFAOYAB