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Ethanone,2-(2-methylpropoxy)-1,2-diphenyl-
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Name

Ethanone,2-(2-methylpropoxy)-1,2-diphenyl-

 EINECS 245-039-6
CAS No. 22499-12-3 Density 1.051 g/cm3
PSA 26.30000 LogP 4.28320
Solubility N/A Melting Point 33～34℃
Formula C18H20O2 Boiling Point 344.8 °C at 760 mmHg
Molecular Weight 268.356 Flash Point 155.6 °C
Transport Information N/A Appearance clear yellow liquid
Safety 23-24/25 Risk Codes 22
Molecular Structure Molecular Structure of 22499-12-3 (BENZOIN ISOBUTYL ETHER) Hazard Symbols HarmfulXn
Synonyms

Acetophenone,2-isobutoxy-2-phenyl- (8CI);2-Isobutoxy-2-phenylacetophenone;Benzoin isobutylether;Isobutyl benzoin ether;Quantacure B 2;Vicure 10;

Article Data 2

Ethanone,2-(2-methylpropoxy)-1,2-diphenyl- Synthetic route

926-62-5

isobutylmagnesium bromide

134-81-6

benzil

A

22499-12-3

2-isobutoxy-2-phenylacetophenone

B

119-53-9

2-hydroxy-2-phenylacetophenone

C

α-isobutylbenzoin

α-isobutylbenzoin

Conditions
ConditionsYield
With ammonium chloride 1.) ether, room temperature, 2.) 150 deg C, 1 min; Multistep reaction;
22499-12-3

2-isobutoxy-2-phenylacetophenone

623-48-3

ethyl iodoacetae

(3SR,4RS)-ethyl 3-hydroxy-3,4-diphenyl-4-isobutyloxybutanoate

Conditions
ConditionsYield
With indium(III) chloride; indium In toluene at 20℃; for 2h; ultrasonication;99%
667-27-6

Ethyl bromodifluoroacetate

22499-12-3

2-isobutoxy-2-phenylacetophenone

C22H24F2O4

Conditions
ConditionsYield
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%
22499-12-3

2-isobutoxy-2-phenylacetophenone

A

451-40-1

phenyl benzyl ketone

B

(4-Isobutoxymethyl-phenyl)-phenyl-methanone

C

2-Isopropyl-3,4-diphenyl-oxetan-3-ol

D

C22H30O2

Conditions
ConditionsYield
With alkalimetal-zeolite In 2,2,4-trimethylpentane; benzene Irradiation; 2.) degassed at 1E-4 Torr and irradiated;
22499-12-3

2-isobutoxy-2-phenylacetophenone

A

134-81-6

benzil

B

(4-Isobutoxymethyl-phenyl)-phenyl-methanone

C

2-Isopropyl-3,4-diphenyl-oxetan-3-ol

D

C22H30O2

Conditions
ConditionsYield
With alkalimetal-zeolite In 2,2,4-trimethylpentane; benzene Irradiation; 2.) degassed at 1E-4 Torr and irradiated;
22499-12-3

2-isobutoxy-2-phenylacetophenone

74-88-4

methyl iodide

27962-50-1

α-Methyl-benzoin-isobutylether

Conditions
ConditionsYield
With sodium hydroxide In dimethyl sulfoxide
37746-78-4

4-bromo-trans-crotonic acid ethyl ester

22499-12-3

2-isobutoxy-2-phenylacetophenone

ethyl (E,5RS,6SR)-5-hydroxy-6-isobutyloxy-5,6-diphenylhex-2-enoate

ethyl (E,5SR,6SR)-5-hydroxy-6-isobutyloxy-5,6-diphenylhex-2-enoate

Conditions
ConditionsYield
With indium In tetrahydrofuran at 20℃; for 5h; Title compound not separated from byproducts.;

Ethanone,2-(2-methylpropoxy)-1,2-diphenyl- Specification

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

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