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Cas Database |
| Name |
1-(2-Methylphenyl)propan-1-one |
EINECS | N/A |
| CAS No. | 2040-14-4 | Density | 0.963 g/cm3 |
| PSA | 17.07000 | LogP | 2.58770 |
| Solubility | N/A | Melting Point |
-27.6°C |
| Formula | C10H12O | Boiling Point | 219.5 °C at 760 mmHg |
| Molecular Weight | 148.205 | Flash Point | 93.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propiophenone,2'-methyl- (7CI,8CI);2'-Methylpropiophenone;NSC 100176;o-Methylpropiophenone; |
Article Data | 35 |
1-(2-Methylphenyl)propan-1-one Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: ethyl iodide With iodine; magnesium In diethyl ether for 1.5h; Heating; Stage #2: 2-Methylbenzonitrile In diethyl ether for 2h; Grignard reaction; Heating; | 97% |
- 61017-92-3
1-(2-methylphenyl)-1-propanol
- 2040-14-4
2-methylpropiophenone
| Conditions | Yield |
|---|---|
| With jones reagent In acetone at 20 - 30℃; | 95% |
| With Jones reagent In isopropyl alcohol; acetone at 0℃; for 2.5h; Jones Oxidation; Inert atmosphere; | 93% |
| With chromium(VI) oxide; sulfuric acid In acetone for 2h; | 79.2% |
- 123-62-6
propionic acid anhydride
- 108-88-3
toluene
A
- 2040-14-4
2-methylpropiophenone
B
- 5337-93-9
4'-methylpropiophenone
| Conditions | Yield |
|---|---|
| HZSM-5 at 250℃; for 12h; other catalyst: HY-Zeolite; Yield given; | A n/a B 90% |
| HZSM-5 at 250℃; for 12h; other catalyst: HY-Zeolite; Yields of byproduct given; | A n/a B 90% |
| With ruthenium sulfate; zirconium(IV) oxide at 110℃; for 2h; Product distribution; Further Variations:; Reagents; |
| Conditions | Yield |
|---|---|
| Stage #1: ortho-methylbenzoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 0.333333h; Stage #2: ethylmagnesium chloride With iron(III)-acetylacetonate In tetrahydrofuran at 20℃; for 0.333333h; | 75% |
| Conditions | Yield |
|---|---|
| With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; potassium carbonate In tetrahydrofuran; tert-butyl methyl ether at 20℃; for 24h; Inert atmosphere; Schlenk technique; | 72% |
| Conditions | Yield |
|---|---|
| With palladium(II) trifluoroacetate; trifluoroacetic acid; 6-methyl-2,2'-bipyridine In tetrahydrofuran; water at 100℃; for 1h; Microwave irradiation; | 66% |
| Conditions | Yield |
|---|---|
| Zersetzung des Reaktionsprodukts mit Wasser; | |
| (i) , (ii) aq. H2SO4; Multistep reaction; |
- 529-19-1
2-Methylbenzonitrile
- 925-90-6
ethylmagnesium bromide
A
- 2040-14-4
2-methylpropiophenone
B
- 861303-20-0
1-(2-methylphenyl)--1-imine
- 861303-20-0
1-(2-methylphenyl)--1-imine
- 2040-14-4
2-methylpropiophenone
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
1-(2-Methylphenyl)propan-1-one Specification
The CAS register number of 1-(2-Methylphenyl)propan-1-one is 2040-14-4. It also can be called as 1-o-Tolylpropan-1-one and the IUPAC name about this chemical is 1-(2-methylphenyl)propan-1-one.
Physical properties about 1-(2-Methylphenyl)propan-1-one are: (1)ACD/LogP: 2.66; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 17.07Å2; (5)Index of Refraction: 1.506; (6)Molar Refractivity: 45.73 cm3; (7)Molar Volume: 153.7 cm3; (8)Polarizability: 18.13x10-24cm3; (9)Surface Tension: 33.5 dyne/cm; (10)Enthalpy of Vaporization: 45.59 kJ/mol; (11)Boiling Point: 219.5 °C at 760 mmHg; (12)Vapour Pressure: 0.119 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1C)CC
(2)InChI: InChI=1/C10H12O/c1-3-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
(3)InChIKey: VQHKICGSBBPFFJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H12O/c1-3-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
(5)Std. InChIKey: VQHKICGSBBPFFJ-UHFFFAOYSA-N
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