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CAS No.: | 1883-32-5 |
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Name: | 2,2-Diphenylethanol |
Article Data: | 112 |
Molecular Structure: | |
Formula: | C14H14O |
Molecular Weight: | 198.265 |
Synonyms: | Ethanol,2,2-diphenyl- (6CI,7CI,8CI);2,2-Diphenylethanol;2,2-Diphenylethyl alcohol;NSC 4574; |
EINECS: | 217-543-6 |
Density: | 1.079 g/cm3 |
Melting Point: | 53-56 °C(lit.) |
Boiling Point: | 190-192oC12 mm Hg(lit.) |
Flash Point: | >230 °F |
Appearance: | white powder |
Hazard Symbols: | Xi |
Risk Codes: | Xi:刺激性物质; "> Xi:刺激性物质; |
PSA: | 20.23000 |
LogP: | 2.81080 |
This chemical is called Benzeneethanol, β-phenyl-, and its systematic name is 2,2-diphenylethanol. With the molecular formula of C14H14O, its product categories are Alcohols; C9 to C30; Oxygen Compounds. The CAS registry number of this chemical is 198.26. Additionally, this chemical should be sealed in the ventilated and dry place.
Other characteristics of the Benzeneethanol, β-phenyl- can be summarised as followings: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 87.62; (6)ACD/BCF (pH 7.4): 87.62; (7)ACD/KOC (pH 5.5): 855.35; (8)ACD/KOC (pH 7.4): 855.35; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 61.73 cm3; (15)Molar Volume: 183.5 cm3; (16)Polarizability: 24.47×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.079 g/cm3; (19)Flash Point: 136.7 °C; (20)Enthalpy of Vaporization: 60.15 kJ/mol; (21)Boiling Point: 327.5 °C at 760 mmHg; (22)Vapour Pressure: 8.14E-05 mmHg at 25°C.
Production method of this chemical: The Benzeneethanol, β-phenyl- could be obtained by the reactant of 2,2-diphenyl-oxirane. This reaction needs the reagent of Et3N, NaBH4, and the solvent of acetonitrile. The yield is 91 %. The other condition is irradiation.
Uses of this chemical: The 1,1-diphenylethanethiol could be obtained by the Benzeneethanol, β-phenyl-. This reaction needs the reagent of 2,4-bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide, and the solvent of toluene. The yield is 91 %. In addition, this reaction should be taken for 0.5 hour. The other condition is heating.
You can still convert the following datas into molecular structure:
1.SMILES: OCC(c1ccccc1)c2ccccc2
2.InChI: InChI=1/C14H14O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11H2
3.InChIKey: NYLOEXLAXYHOHH-UHFFFAOYAD