Basic information
- Name:
4-Amino-2,6-ditert-butyl-phenol
- CAS No.:
950-58-3
- Molecular Structure:
- Formula:
- C14H23NO
- Molecular Weight:
- 221.34
- Synonyms:
- Phenol, 4-amino-2,6-bis(1,1-dimethylethyl)-;
- Density:
- 0.99 g/cm3
- Boiling Point:
- 309.3 °C at 760 mmHg
- Flash Point:
- 140.8 °C
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Specification
This product is an organic compound with the formula C14H23NO. The systematic name of this chemical is 4-Amino-2,6-ditert-butyl-phenol. It belongs to the product category of Industrial/Fine Chemicals. With the CAS registry number 950-58-3, it is also named as Phenol, 4-amino-2,6-bis(1,1-dimethylethyl)-. In addition, the molecular weight is 221.34.
Physical properties of 4-Amino-2,6-ditert-butyl-phenol are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 69.14 cm3; (9)Molar Volume: 223.5 cm3; (10)Polarizability: 27.41×10-24cm3; (11)Surface Tension: 35.1 dyne/cm; (12)Density: 0.99 g/cm3; (13)Flash Point: 140.8 °C; (14)Enthalpy of Vaporization: 57.19 kJ/mol; (15)Boiling Point: 309.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000355 mmHg at 25°C.
Uses of 4-Amino-2,6-ditert-butyl-phenol: it can be used to produce 3,5-di-tert-butyl-4-hydroxy-2',5',6'-trichloro-3',4'-dicyanodiphenylamine at the temperature of 40 - 45 °C. It will need reagent Et3N and various solvent(s) with the reaction time of 2 hours. The yield is about 81%.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(cc(cc1C(C)(C)C)N)C(C)(C)C
(2)Std. InChI: InChI=1S/C14H23NO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,15H2,1-6H3
(3)Std. InChIKey: MNDTVJMRXYKBPV-UHFFFAOYSA-N
