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2040-14-4

2040-14-4 Structure

2040-14-4 Structure
IdentificationBack Directory
[Name]

ETHYL-O-TOLYL KETONE
[CAS]

2040-14-4
[Synonyms]

ETHYL-O-TOLYL KETONE
1-o-Tolylpropan-1-one
Tolperisone Impurity D
Tolperisone Impurity 4
O-METHYL-PROPIOPHENONE
2'-Methylpropiophenone98%
2'-Methylpropiophenone 98%
1-(2-methylphenyl)propan-1-one
1-Propanone, 1-(2-methylphenyl)-
o-Methyl-propiophenone, 97 % min.
1-(2-Methylphenyl)propan-1-one, 2-(Ethylcarbonyl)toluene
[Molecular Formula]

C10H12O
[MDL Number]

MFCD05663689
[MOL File]

2040-14-4.mol
[Molecular Weight]

148.2
Chemical PropertiesBack Directory
[Melting point ]

-27.6°C
[Boiling point ]

219.5°C (estimate)
[density ]

1.0119
[refractive index ]

1.5413 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Sparingly), Methanol (Slightly)
[form ]

liquid
[color ]

Light Yellow
[InChI]

InChI=1S/C10H12O/c1-3-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
[InChIKey]

VQHKICGSBBPFFJ-UHFFFAOYSA-N
[SMILES]

C(C1=CC=CC=C1C)(=O)CC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2914390090
Hazard InformationBack Directory
[Uses]

2'-Methylpropiophenone can be used for volatile component analysis in infant formula using SPME coupled with GCxGC-TOFMS.
[Synthesis]

1-(2-METHYLPHENYL)-1-PROPANOL

61017-92-3

ETHYL-O-TOLYL KETONE

2040-14-4

1-(p-formyl)ethanol (1 mmol) was used as starting material with chloramine-T (1 mmol) and In(OTf)3 (0.3 mmol) in a 100 mL round-bottomed flask fitted with a magnetic stirrer and dissolved in acetonitrile (10 mL). The reaction mixture was heated and refluxed under argon protection for 3 h. The reaction progress was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the mixture was cooled to room temperature and the solvent was removed by rotary evaporator. The residue was purified by fast column chromatography on silica gel. The final product was analyzed by spectroscopy for structural confirmation.

[References]

[1] Journal of Organic Chemistry, 1986, vol. 51, # 9, p. 1402 - 1406
[2] Phytochemistry, 2013, vol. 96, p. 223 - 234
[3] European Journal of Medicinal Chemistry, 1995, vol. 30, # 1, p. 85 - 94
[4] Journal of Organic Chemistry, 2003, vol. 68, # 4, p. 1594 - 1596
[5] Chemical and Pharmaceutical Bulletin, 2017, vol. 65, # 8, p. 801 - 804
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL-O-TOLYL KETONE(2040-14-4)1HNMR
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