Benzenamine,4-octyl-N-(4-octylphenyl)- (101-67-7)

The 4,4'-Dioctylphenylamine with the cas number 101-67-7, is also called 4-octyl-N-(4-octylphenyl)aniline named by IUPAC. There are other names such as (1)4,4'-Dioctyldiphenylamine; (2)Benzenamine, 4-octyl-N-(4-octylphenyl)-; (3)Bis(4-octylphenyl)amine; (4)Diphenylamine, 4,4'-dioctyl- (8CI) and so on. It seem to be white powder or beige solid with slight amine odor. In addition, it is stable, combustible, and incompatible with strong oxidizing agents.

Physical properties about this chemical are: (1)ACD/LogP: 11.33 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 11.33 ; (4)ACD/LogD (pH 7.4): 11.33 ; (5)#H bond acceptors: 1 ; (6)#H bond donors: 1 ; (7)#Freely Rotating Bonds: 16 ; (8)Polar Surface Area: 3.24Ų ; (9)Index of Refraction: 1.534 ; (10)Molar Refractivity: 130.32 cm³ ; (11)Molar Volume: 419.1 cm³ ; (12)Polarizability: 51.66 ×10^-24cm³ ; (13)Surface Tension: 36.6 dyne/cm ; (14)Density: 0.939 g/cm³ ; (15)Flash Point: 270 °C ; (16)Enthalpy of Vaporization: 77.99 kJ/mol ; (17)Boiling Point: 509.4 °C at 760 mmHg ; (18)Vapour Pressure: 1.71E-10 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following: It is harmful by inhalation, in contact with skin and if swallowed. Before you are using this chemical, you should better wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Uses of 4,4'-Dioctylphenylamine: It is used in various types of special cables, rubber boots, rubber flooring, sponges, V-belt, timing belt, sealing tape, plastic rollers and other products.

You can still convert the following datas into molecular structure :
(1) SMILES: c2c(Nc1ccc(cc1)CCCCCCCC)ccc(c2)CCCCCCCC
(2) InChI:InChI=1/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3

Reported in EPA TSCA Inventory.