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CAS No.: | 5875-45-6 |
---|---|
Name: | 2,5-DI-TERT-BUTYLPHENOL |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C14H22O |
Molecular Weight: | 206.328 |
Synonyms: | 2,5-Bis(1,1-dimethylethyl)phenol;2,5-Di-tert-butylhydroxybenzene;2,5-Di-tert-butylphenol;3,6-Di-tert-butylphenol;NSC 68767;Phenol,2,5-di-tert-butyl- (8CI); |
EINECS: | 227-543-8 |
Density: | 0.932 g/cm3 |
Melting Point: | 141.1-142.2 °C |
Boiling Point: | 283.4 °C at 760 mmHg |
Flash Point: | 130.6 °C |
PSA: | 20.23000 |
LogP: | 3.98720 |
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The Phenol,2,5-bis(1,1-dimethylethyl)-, with the CAS registry number 5875-45-6, is also known as 2,5-Di-tert-butylhydroxybenzene. This chemical's molecular formula is C14H22O and molecular weight is 206.32. What's more, its systematic name is 2,5-Di-tert-butylphenol and its EINECS number is 227-543-8.
Physical properties of Phenol,2,5-bis(1,1-dimethylethyl)- are: (1)ACD/LogP: 4.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.86; (4)ACD/LogD (pH 7.4): 4.86; (5)ACD/BCF (pH 5.5): 2900.97; (6)ACD/BCF (pH 7.4): 2900.72; (7)ACD/KOC (pH 5.5): 10473.3; (8)ACD/KOC (pH 7.4): 10472.4; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 64.9 cm3; (15)Molar Volume: 221.2 cm3; (16)Polarizability: 25.73×10-24 cm3; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 0.932 g/cm3; (19)Flash Point: 130.6 °C; (20)Enthalpy of Vaporization: 54.33 kJ/mol; (21)Boiling Point: 283.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00185 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)O
(2)InChI: InChI=1S/C14H22O/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9,15H,1-6H3
(3)InChIKey: KDBZVULQVCUNNA-UHFFFAOYSA-N