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CAS No.: | 22499-12-3 |
---|---|
Name: | BENZOIN ISOBUTYL ETHER |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C18H20O2 |
Molecular Weight: | 268.356 |
Synonyms: | Acetophenone,2-isobutoxy-2-phenyl- (8CI);2-Isobutoxy-2-phenylacetophenone;Benzoin isobutylether;Isobutyl benzoin ether;Quantacure B 2;Vicure 10; |
EINECS: | 245-039-6 |
Density: | 1.051 g/cm3 |
Melting Point: | 33~34℃ |
Boiling Point: | 344.8 °C at 760 mmHg |
Flash Point: | 155.6 °C |
Appearance: | clear yellow liquid |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 23-24/25 |
PSA: | 26.30000 |
LogP: | 4.28320 |
isobutylmagnesium bromide
benzil
A
2-isobutoxy-2-phenylacetophenone
B
2-hydroxy-2-phenylacetophenone
Conditions | Yield |
---|---|
With ammonium chloride 1.) ether, room temperature, 2.) 150 deg C, 1 min; Multistep reaction; |
2-isobutoxy-2-phenylacetophenone
ethyl iodoacetae
Conditions | Yield |
---|---|
With indium(III) chloride; indium In toluene at 20℃; for 2h; ultrasonication; | 99% |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); potassium acetate; silver fluoride; triphenylphosphine In hexane at 140℃; for 20h; Sealed tube; Inert atmosphere; | 63% |
With tetrakis(triphenylphosphine) palladium(0); potassium acetate; silver fluoride; triphenylphosphine In hexane at 140℃; for 20h; Inert atmosphere; Sealed tube; | 63% |
2-isobutoxy-2-phenylacetophenone
A
phenyl benzyl ketone
Conditions | Yield |
---|---|
With alkalimetal-zeolite In 2,2,4-trimethylpentane; benzene Irradiation; 2.) degassed at 1E-4 Torr and irradiated; |
2-isobutoxy-2-phenylacetophenone
A
benzil
Conditions | Yield |
---|---|
With alkalimetal-zeolite In 2,2,4-trimethylpentane; benzene Irradiation; 2.) degassed at 1E-4 Torr and irradiated; |
2-isobutoxy-2-phenylacetophenone
methyl iodide
α-Methyl-benzoin-isobutylether
Conditions | Yield |
---|---|
With sodium hydroxide In dimethyl sulfoxide |
4-bromo-trans-crotonic acid ethyl ester
2-isobutoxy-2-phenylacetophenone
Conditions | Yield |
---|---|
With indium In tetrahydrofuran at 20℃; for 5h; Title compound not separated from byproducts.; |
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The Ethanone,2-(2-methylpropoxy)-1,2-diphenyl-, with CAS registry number 22499-12-3, belongs to the following product categories: (1)Functional Materials; (2)Photopolymerization Initiators. It has the systematic name of 2-(2-methylpropoxy)-1,2-diphenylethanone. This chemical is a kind of clear yellow liquid. And this chemical is harmful if swallowed. When use this chemical, do not breathe vapour and avoid contact with skin and eyes. What's more, its EINECS is 245-039-6.
Physical properties of Ethanone,2-(2-methylpropoxy)-1,2-diphenyl-: (1)ACD/LogP: 4.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.78; (4)ACD/LogD (pH 7.4): 4.78; (5)ACD/BCF (pH 5.5): 2546.09; (6)ACD/BCF (pH 7.4): 2546.09; (7)ACD/KOC (pH 5.5): 9539.39; (8)ACD/KOC (pH 7.4): 9539.39; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 81 cm3; (15)Molar Volume: 255.1 cm3; (16)Polarizability: 32.11×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.051 g/cm3; (19)Flash Point: 155.6 °C; (20)Enthalpy of Vaporization: 58.88 kJ/mol; (21)Boiling Point: 344.8 °C at 760 mmHg; (22)Vapour Pressure: 6.44E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)C(OCC(C)C)c2ccccc2
(2)InChI: InChI=1/C18H20O2/c1-14(2)13-20-18(16-11-7-4-8-12-16)17(19)15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3
(3)InChIKey: JMVZGKVGQDHWOI-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C18H20O2/c1-14(2)13-20-18(16-11-7-4-8-12-16)17(19)15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3
(5)Std. InChIKey: JMVZGKVGQDHWOI-UHFFFAOYSA-N