Phenol,2,2'-methylenebis[6-(1,1-dimethylethyl)-4-ethyl- (88-24-4)

The 2,2'-Methylenebis(4-ethyl-6-tert-butylphenol), with its CAS registry number 88-24-4, has the IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxyphenyl)methyl]-4-ethylphenol. And it has the systematic name of 6,6'-Di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol.

The characteristics of this chemical are as follows: (1)ACD/LogP: 8.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.09; (4)ACD/LogD (pH 7.4): 8.09; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 8; (8)Polar Surface Area: 18.46; (9)Index of Refraction: 1.544; (10)Molar Refractivity: 115.2 cm³; (11)Molar Volume: 364.7 cm³; (12)Polarizability: 45.67×10^-24 cm³; (13)Surface Tension: 36.6 dyne/cm; (14)Density: 1.01 g/cm³; (15)Flash Point: 187.5 °C; (16)Enthalpy of Vaporization: 73.86 kJ/mol; (17)Boiling Point: 452.1 °C at 760 mmHg; (18)Vapour Pressure: 8.6E-09 mmHg at 25°C; (19)Exact Mass: 368.27153; (20)MonoIsotopic Mass: 368.27153; (21)Topological Polar Surface Area: 40.5; (22)Heavy Atom Count: 27; (23)Complexity: 416.

When you are dealing with this chemical, you should be very cautious. This is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)CC)C(C)(C)C)O
(2)InChI: InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3
(3)InChIKey: GPNYZBKIGXGYNU-UHFFFAOYSA-N 

Below are the toxicity information of this chemical:

Reported in EPA TSCA Inventory.