4-DODECYLPHENOL

The Phenol, 4-dodecyl-, with CAS registry number 104-43-8, has the systematic name of 4-dodecylphenol. Besides this, it is also called p-Dodecylphenol. And the chemical formula of this chemical is C₁₈H₃₀O. What's more, its EINECS is 248-312-8.

Physical properties of Phenol, 4-dodecyl-: (1)ACD/LogP: 7.79; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.79; (4)ACD/LogD (pH 7.4): 7.79; (5)ACD/BCF (pH 5.5): 487555.47; (6)ACD/BCF (pH 7.4): 486690.13; (7)ACD/KOC (pH 5.5): 410257.63; (8)ACD/KOC (pH 7.4): 409529.44; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 84.01 cm³; (15)Molar Volume: 285.7 cm³; (16)Polarizability: 33.3×10^-24cm³; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 0.918 g/cm³; (19)Flash Point: 216.5 °C; (20)Enthalpy of Vaporization: 64.88 kJ/mol; (21)Boiling Point: 376.6 °C at 760 mmHg; (22)Vapour Pressure: 3.3E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-dodecyl-anisole. This reaction will need reagent concentrated hydriodic acid.

Uses of Phenol, 4-dodecyl-: it can be used to produce 4-Dodecyl-2-nitro-phenol. This reaction will need reagents aqueous HNO₃, acetic acid.

When you are using this chemical, please be cautious about it as the following:
The Phenol, 4-dodecyl- may cause burns. 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: Oc1ccc(cc1)CCCCCCCCCCCC
(2)InChI: InChI=1/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3
(3)InChIKey: KJWMCPYEODZESQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3
(5)Std. InChIKey: KJWMCPYEODZESQ-UHFFFAOYSA-N