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13678-58-5

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13678-58-5 Structure

13678-58-5 Structure
IdentificationMore
[Name]

1-(Methylthio)-2-butanone
[CAS]

13678-58-5
[Synonyms]

1-(METHYLTHIO)-2-BUTANONE
FEMA 3207
methylthiomethyl ethyl ketone
1-(methylthio)butan-2-one
2-Butanone, 1-(methylthio)-
[EINECS(EC#)]

237-169-7
[Molecular Formula]

C5H10OS
[MDL Number]

MFCD00209520
[Molecular Weight]

118.2
[MOL File]

13678-58-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

52-53°C (8 mm Hg)
[density ]

0.9970 g/cm3(Temp: 22 °C)
[FEMA ]

3207
[storage temp. ]

2-8°C, stored under nitrogen
[Appearance]

Colorless to light yellow Liquid
[Odor]

at 0.10 % in propylene glycol. mushroom garlic oily fishy
[Odor Type]

mushroom
[JECFA Number]

496
[LogP]

1.02
[CAS DataBase Reference]

13678-58-5(CAS DataBase Reference)
[EPA Substance Registry System]

13678-58-5(EPA Substance)
Safety DataBack Directory
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Description]

1-(Methylthio)-2-butanone has an odor reminiscent of mushroom, with a characteristic garlic undertone. Can be synthesized from chloro- 1 -butan-2-one.
[Chemical Properties]

1-(Methylthio)-2-butanone has an odor reminiscent of mushroom, with a characteristic garlic undertone
[Occurrence]

Reported found as a constituent in coffee aroma
[Definition]

ChEBI: 1-(Methylthio)-2-butanone is a ketone.
[Preparation]

From chloro-1-butan-2-one
[Synthesis Reference(s)]

Synthetic Communications, 19, p. 443, 1989 DOI: 10.1080/00397918908050685
Spectrum DetailBack Directory
[Spectrum Detail]

1-(Methylthio)-2-butanone(13678-58-5)1HNMR
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