ChemicalBook--->CAS DataBase List--->34047-39-7

34047-39-7

34047-39-7 Structure

34047-39-7 Structure
IdentificationMore
[Name]

4-Methylthio-2-butanone
[CAS]

34047-39-7
[Synonyms]

4-(METHYLMERCAPTO)-2-BUTANONE
4-METHYLTHIO-2-BUTANONE
4-(METHYLTHIO)BUTAN-2-ONE
FEMA 3375
4-(methylthio)-2-butanon
4-METHYLTHIO-2-BUTANONE 97+%
2-Butanone, 4-(methylthio)-(6CI,7CI,8CI,9CI)
4-(Methylthio)-2-butanone,98%
2-Butanone, 4-(methylthio)-
4-METHYLTHIO-2-BUTANONE FEMA NO.3375
1-(Methylthio)-3-butanone
5-Thiahexane-2-one
[EINECS(EC#)]

251-810-8
[Molecular Formula]

C5H10OS
[MDL Number]

MFCD00040029
[Molecular Weight]

118.2
[MOL File]

34047-39-7.mol
Chemical PropertiesBack Directory
[Boiling point ]

105-107 °C/55 mmHg (lit.)
[density ]

1.003 g/mL at 25 °C(lit.)
[FEMA ]

3375
[refractive index ]

n20/D 1.473(lit.)
[Fp ]

162 °F
[storage temp. ]

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

Colorless to light yellow Liquid
[Odor]

at 0.10 % in dipropylene glycol. sweet sulfurous vegetable potato earthy tomato
[biological source]

synthetic
[Odor Type]

sulfurous
[JECFA Number]

497
[Major Application]

flavors and fragrances
[InChI]

1S/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3
[InChIKey]

DRGHCRKOWMAZAO-UHFFFAOYSA-N
[SMILES]

CSCCC(C)=O
[LogP]

0.71
[CAS DataBase Reference]

34047-39-7(CAS DataBase Reference)
[EPA Substance Registry System]

34047-39-7(EPA Substance)
Safety DataBack Directory
[Signal word ]

Warning
[Hazard statements ]

H227
[Precautionary statements ]

P210e-P280a-P370+P378a-P403+P235-P501a
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

1224
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium thiomethoxide-->4,4-bis(methylthio)but-3-en-2-one-->4-Chloro-2-butanone-->4-Methylthio-4-methyl-2-pentanone-->Methyl vinyl ketone-->Methyl mercaptan-->Formaldehyde-->Acetone
Hazard InformationBack Directory
[Description]

4-(Methylthio)-2-butanone has a flavor like arrowhead. It is sweet, sulfurous, and fruity. May be prepared from methylvinyl ketone and methylmercaptan; from methylvinyl ketone and methyl-Ws (methy lthio)aluminum.
[Chemical Properties]

4-Methylthio-2-butanone has a flavor similar to arrowhead: sweet, sulfurous and fruity
[Chemical Properties]

Colorless liquid
[Occurrence]

Reported found in kohlrabi.
[Uses]

4-Methylthio-2-butanone is used as a food flavoring.
[Definition]

ChEBI: 4-(Methylthio)-2-butanone is a ketone.
[Preparation]

From methylvinyl ketone and methylmercaptan; from methylvinyl ketone and methyl-bis (methylthio)aluminum.
[Taste threshold values]

Taste characteristics at 15 ppm: sulfureous, potato, earthy, vegetative, fatty, fishy, metallic and mushroom.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Methylthio-2-butanone(34047-39-7)1HNMR
4-Methylthio-2-butanone(34047-39-7)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Methylthio-2-butanone, 98%(34047-39-7)
[Sigma Aldrich]

34047-39-7(sigmaaldrich)
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