2,5-DI-TERT-BUTYL-4-HYDROXYANISOLE

The Phenol,2,5-bis(1,1-dimethylethyl)-4-methoxy-, with the CAS registry number 1991-52-2, is also known as 2,5-Di-tert-butyl-hydroxyanisole. This chemical's molecular formula is C₁₅H₂₄O₂ and molecular weight is 236.35. What's more, its systematic name is 2,5-Di-tert-butyl-4-methoxyphenol and its EINECS number is 217-873-0. The product is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place.

Physical properties of Phenol,2,5-bis(1,1-dimethylethyl)-4-methoxy- are: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 2144.57; (6)ACD/BCF (pH 7.4): 2144.52; (7)ACD/KOC (pH 5.5): 8436.65; (8)ACD/KOC (pH 7.4): 8436.43; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 71.58 cm³; (15)Molar Volume: 245.2 cm³; (16)Polarizability: 28.37×10^-24 cm³; (17)Surface Tension: 30.2 dyne/cm; (18)Density: 0.963 g/cm³; (19)Flash Point: 129.2 °C; (20)Enthalpy of Vaporization: 60.41 kJ/mol; (21)Boiling Point: 337.8 °C at 760 mmHg; (22)Vapour Pressure: 5.25E-05 mmHg at 25°C; (23)XLogP: 4.9; (24)Rotatable Bond Count: 3; (25)Tautomer Count: 3; (26)Heavy Atom Count: 17; (27)Complexity: 247; (28)Topological Polar Surface Area: 29.5; (29)Covalently-Bonded Unit Count: 1.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1cc(c(O)cc1C(C)(C)C)C(C)(C)C)C
(2)InChI: InChI=1/C15H24O2/c1-14(2,3)10-9-13(17-7)11(8-12(10)16)15(4,5)6/h8-9,16H,1-7H3
(3)InChIKey: FLLRQABPKFCXSO-UHFFFAOYSA-N