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| CAS No.: | 1657-60-9 |
|---|---|
| Name: | TERT-BUTYLDIPHENYLMETHANOL |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C17H20O |
| Molecular Weight: | 240.345 |
| Synonyms: | Benzhydrol,a-tert-butyl- (7CI,8CI);1,1-Diphenyl-2,2-dimethylpropanol;2,2-Dimethyl-1,1-diphenyl-1-propanol;2,2-Dimethyl-1,1-diphenylpropanol;tert-Butyldiphenylmethanol; |
| Density: | 1.03 g/cm3 |
| Melting Point: | 220.5-221.2 °C |
| Boiling Point: | 360 °C at 760 mmHg |
| Flash Point: | 140.2 °C |
| PSA: | 20.23000 |
| LogP: | 3.96860 |
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- Total:8 Page 1 of 1 1
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Specification
The Benzenemethanol, α-(1,1-dimethylethyl)-α-phenyl- is an organic compound with the formula C17H20O. The IUPAC name of this chemical is 2,2-Dimethyl-1,1-diphenylpropan-1-ol. With the CAS registry number 1657-60-9, it is also named as Tert-Butyldiphenyl-Methanol. Besides, its molecular weight is 240.34.
Physical properties about Benzenemethanol, α-(1,1-dimethylethyl)-α-phenyl- are: (1)ACD/LogP: 4.32; (2)ACD/LogD (pH 5.5): 4.32; (3)ACD/LogD (pH 7.4): 4.32; (4)ACD/BCF (pH 5.5): 1128.21; (5)ACD/BCF (pH 7.4): 1128.21; (6)ACD/KOC (pH 5.5): 5327.23; (7)ACD/KOC (pH 7.4): 5327.22; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 75.17 cm3; (14)Molar Volume: 233.2 cm3; (15)Polarizability: 29.8×10-24 cm3; (16)Surface Tension: 38.5 dyne/cm; (17)Density: 1.03 g/cm3; (18)Flash Point: 140.2 °C; (19)Enthalpy of Vaporization: 63.9 kJ/mol; (20)Boiling Point: 360 °C at 760 mmHg; (21)Vapour Pressure: 8.25E-06 mmHg at 25 °C.
Preparation: this chemical can be prepared by 3,3-Dimethyl-butyric acid ethyl ester. The yield is about 70%.
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Uses of Benzenemethanol, α-(1,1-dimethylethyl)-α-phenyl-: it can be used to produce (2,2-Dimethyl-1,1-diphenyl-propyl)-methyl ether. It will need reagent H2SO4 with reaction time of 14 days. The yield is about 38%.
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You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C17H20O/c1-16(2,3)17(18,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,18H,1-3H3
(2)InChIKey: YOVSPPKJDDWJML-UHFFFAOYAR
(3)Std. InChI: InChI=1S/C17H20O/c1-16(2,3)17(18,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,18H,1-3H3
(4)Std. InChIKey: YOVSPPKJDDWJML-UHFFFAOYSA-N