CAS No.2040-14-4,ETHYL-O-TOLYL KETONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2040-14-4
Name:	ETHYL-O-TOLYL KETONE
Article Data:	35

Formula:	C₁₀H₁₂O
Molecular Weight:	148.205
Synonyms:	Propiophenone,2'-methyl- (7CI,8CI);2'-Methylpropiophenone;NSC 100176;o-Methylpropiophenone;
Density:	0.963 g/cm³
Melting Point:	-27.6°C
Boiling Point:	219.5 °C at 760 mmHg
Flash Point:	93.8 °C
PSA:	17.07000
LogP:	2.58770

Synthetic route

: 529-19-1
2-Methylbenzonitrile

: 75-03-6
ethyl iodide

: 2040-14-4
2-methylpropiophenone

Conditions

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

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

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;

...Expand

: 118-90-1
ortho-methylbenzoic acid

: 2386-64-3
ethylmagnesium chloride

: 2040-14-4
2-methylpropiophenone

Conditions

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%

: 97-94-9
triethyl borane

: N-methyl-N-tosyl-2-methylbenzamide

: 2040-14-4
2-methylpropiophenone

Conditions

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%

: 15898-37-0
sodium 2-methylbenzenesulfinate

: 107-12-0
propiononitrile

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
With palladium(II) trifluoroacetate; trifluoroacetic acid; 6-methyl-2,2'-bipyridine In tetrahydrofuran; water at 100℃; for 1h; Microwave irradiation;	66%

: 10467-10-4
ethylmagnesium iodide

: 529-19-1
2-Methylbenzonitrile

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
Zersetzung des Reaktionsprodukts mit Wasser;
(i) , (ii) aq. H2SO4; Multistep reaction;

: 529-19-1
2-Methylbenzonitrile

: 925-90-6
ethylmagnesium bromide

: 2040-14-4
2-methylpropiophenone

: 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

...Expand

: 861303-20-0
1-(2-methylphenyl)--1-imine

: 2040-14-4
2-methylpropiophenone

Conditions

Conditions	Yield
With hydrogenchloride

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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