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| CAS No.: | 4306-88-1 |
|---|---|
| Name: | ISONOX(R) 232 |
| Molecular Structure: | |
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| Formula: | C23H40O |
| Molecular Weight: | 332.56 |
| Synonyms: | Phenol,2,6-di-tert-butyl-4-nonyl- (7CI,8CI);2,6-Di-tert-Butyl-4-nonylphenol;4-Nonyl-2,6-di-tert-butylphenol;Dinophen; |
| EINECS: | 224-320-7 |
| Density: | 0.899 g/cm3 |
| Boiling Point: | 389.6 °C at 760 mmHg |
| Flash Point: | 175.8 °C |
| Solubility: | 376.3μg/L at 20℃ |
| Appearance: | Clear liquid |
| PSA: | 20.23000 |
| LogP: | 7.28030 |
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Specification
The Phenol,2,6-bis(1,1-dimethylethyl)-4-nonyl-, with the CAS registry number 4306-88-1, is also known as 4-Nonyl-2,6-di-tert-butylphenol. This chemical's molecular formula is C23H40O and molecular weight is 332.56. What's more, its systematic name is 2,6-Di-tert-butyl-4-nonylphenol and its EINECS number is 224-320-7.
Physical properties of Phenol,2,6-bis(1,1-dimethylethyl)-4-nonyl- are: (1)ACD/LogP: 9.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.57; (4)ACD/LogD (pH 7.4): 9.57; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3826492.5; (8)ACD/KOC (pH 7.4): 3826471.5; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 106.88 cm3; (15)Molar Volume: 369.6 cm3; (16)Polarizability: 42.37×10-24 cm3; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 0.899 g/cm3; (19)Flash Point: 175.8 °C; (20)Enthalpy of Vaporization: 66.39 kJ/mol; (21)Boiling Point: 389.6 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(cc(cc1C(C)(C)C)CCCCCCCCC)C(C)(C)C
(2)InChI: InChI=1/C23H40O/c1-8-9-10-11-12-13-14-15-18-16-19(22(2,3)4)21(24)20(17-18)23(5,6)7/h16-17,24H,8-15H2,1-7H3
(3)InChIKey: VQQLTEBUMLSLFJ-UHFFFAOYSA-N