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CAS No.: | 3279-27-4 |
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Name: | 2-(1,1-DIMETHYLPROPYL)PHENOL |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C11H16O |
Molecular Weight: | 164.247 |
Synonyms: | Phenol,o-(1,1-dimethylpropyl)- (5CI);Phenol, o-tert-pentyl- (6CI,7CI,8CI);2-(1,1-Dimethylpropyl)phenol;2-tert-Amylphenol;2-tert-Pentylphenol;o-tert-Amylphenol;o-tert-Pentylphenol; |
EINECS: | 221-916-9 |
Density: | 0.96 g/cm3 |
Melting Point: | -5oC BOLING |
Boiling Point: | 234.3 °C at 760 mmHg |
Flash Point: | 111.2 °C |
Solubility: | 530mg/L at 21℃ |
Appearance: | clear liquid |
PSA: | 20.23000 |
LogP: | 3.07980 |
Conditions | Yield |
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With trichlorophosphate | |
With aluminium(III) phenoxide |
Conditions | Yield |
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With aluminium trichloride at 20 - 100℃; |
Conditions | Yield |
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With diphenyl hydrogen phosphate |
Conditions | Yield |
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In neat (no solvent) at 99.9 - 209.9℃; Equilibrium constant; effect of temperature; |
Conditions | Yield |
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With sulfuric acid at 50℃; |
Conditions | Yield |
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With sulfated zirconia at 140℃; for 1h; |
tert-amylphenol
Conditions | Yield |
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With N-Bromosuccinimide; diisopropylamine In dichloromethane at 40℃; for 20h; Inert atmosphere; | 92% |
With N-Bromosuccinimide; diisopropylamine In dichloromethane for 16h; Inert atmosphere; Reflux; | 81% |
With N-Bromosuccinimide; diisopropylamine In dichloromethane Reflux; |
Conditions | Yield |
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Stage #1: tert-amylphenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.666667h; Schlenk technique; Sealed tube; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil for 3h; Schlenk technique; Sealed tube; | 70% |
Conditions | Yield |
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Stage #1: tert-amylphenol With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.25h; Stage #2: 2-bromoethanol With tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 110℃; for 96h; | 52% |
tert-amylphenol
Conditions | Yield |
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With hexamethylenetetramine durch Eintragen in ein zuvor auf 150-165grad erhitztes Gemisch von Glycerin und Borsaeure und anschliessendes Behandeln mit wss.H2SO4 unter Durchleiten von Wasserdampf; |
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The Phenol,2-(1,1-dimethylpropyl)-, with the CAS registry number 3279-27-4, is also known as 2-(1,1-Dimethylpropyl)phenol. Its EINECS number is 221-916-9. This chemical's molecular formula is C11H16O and molecular weight is 164.24. What's more, its systematic name is 2-(2-methylbutan-2-yl)phenol. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.
Physical properties of Phenol,2-(1,1-dimethylpropyl)- are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/BCF (pH 5.5): 383.04; (5)ACD/KOC (pH 5.5): 2458.59; (6)ACD/KOC (pH 7.4): 2457.32; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.509; (12)Molar Refractivity: 51.15 cm3; (13)Molar Volume: 171 cm3; (14)Polarizability: 20.27×10-24cm3; (15)Surface Tension: 33 dyne/cm; (16)Density: 0.96 g/cm3; (17)Flash Point: 111.2 °C; (18)Enthalpy of Vaporization: 49.01 kJ/mol; (19)Boiling Point: 234.3 °C at 760 mmHg; (20)Vapour Pressure: 0.035 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccccc1C(CC)(C)C
(2)InChI: InChI=1S/C11H16O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h5-8,12H,4H2,1-3H3
(3)InChIKey: BGRKGHSKCFAPCL-UHFFFAOYSA-N