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CAS No.: | 55154-67-1 |
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Name: | 2,4,5-triisopropylphenol |
Molecular Structure: | |
Formula: | C15H24O |
Molecular Weight: | 220.35 |
Synonyms: | Phenol,2,4,5-triisopropyl- (6CI);2,4,5-Triisopropylphenol;2,4,5-Tris(1-methylethyl)phenol; |
EINECS: | 259-506-7 |
Density: | 0.925 g/cm3 |
Boiling Point: | 295.7 °C at 760 mmHg |
Flash Point: | 133.1 °C |
PSA: | 20.23000 |
LogP: | 4.76240 |
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The Phenol,2,4,5-tris(1-methylethyl)-, with the CAS registry number 55154-67-1, is also known as 2,4,5-Triisopropylphenol. This chemical's molecular formula is C15H24O and molecular weight is 220.35. What's more, its systematic name is 2,4,5-Tris(1-methylethyl)phenol and its EINECS number is 259-506-7.
Physical properties of Phenol,2,4,5-tris(1-methylethyl)- are: (1)ACD/LogP: 5.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.5; (4)ACD/LogD (pH 7.4): 5.5; (5)ACD/BCF (pH 5.5): 8887.86; (6)ACD/BCF (pH 7.4): 8884.71; (7)ACD/KOC (pH 5.5): 23342.01; (8)ACD/KOC (pH 7.4): 23333.74; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 70.68 cm3; (15)Molar Volume: 238 cm3; (16)Polarizability: 28.02×10-24 cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 0.925 g/cm3; (19)Flash Point: 133.1 °C; (20)Enthalpy of Vaporization: 55.69 kJ/mol; (21)Boiling Point: 295.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000849 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=CC(=C(C=C1C(C)C)O)C(C)C
(2)InChI: InChI=1S/C15H24O/c1-9(2)12-7-14(11(5)6)15(16)8-13(12)10(3)4/h7-11,16H,1-6H3
(3)InChIKey: MMALDENJQINSHY-UHFFFAOYSA-N