Phenol,2,6-bis(1,1-dimethylethyl)-4-(1-methylpropyl)- (17540-75-9)

The 4-sec-Butyl-2,6-di-tert-butylphenol, with CAS registry number 17540-75-9, belongs to the following product categories: (1)Organics; (2)Organic Building Blocks; (3)Oxygen Compounds; (4)Phenols. It has the systematic name of 4-(butan-2-yl)-2,6-di-tert-butylphenol. What's more, its EINECS is 241-533-0.

Physical properties of 4-sec-Butyl-2,6-di-tert-butylphenol: (1)ACD/LogP: 6.73; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.73; (4)ACD/LogD (pH 7.4): 6.73; (5)ACD/BCF (pH 5.5): 76537.19; (6)ACD/BCF (pH 7.4): 76534.41; (7)ACD/KOC (pH 5.5): 109007.41; (8)ACD/KOC (pH 7.4): 109003.46; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 83.72 cm³; (15)Molar Volume: 287.8 cm³; (16)Polarizability: 33.19×10^-24cm³; (17)Surface Tension: 29.9 dyne/cm; (18)Enthalpy of Vaporization: 53.2 kJ/mol; (19)Vapour Pressure: 0.0035 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-sec-Butyl-2,6-di-tert-butylphenol irritates to eyes, respiratory system and skin. 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: Oc1c(cc(cc1C(C)(C)C)C(C)CC)C(C)(C)C
(2)InChI: InChI=1/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3
(3)InChIKey: BFZOTKYPSZSDEV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C18H30O/c1-9-12(2)13-10-14(17(3,4)5)16(19)15(11-13)18(6,7)8/h10-12,19H,9H2,1-8H3
(5)Std. InChIKey: BFZOTKYPSZSDEV-UHFFFAOYSA-N