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Methylthiomethyl ethyl ketone

Methylthiomethyl ethyl ketone structure

CAS No:
13678-58-5
Formula:
C5H10OS
Chemical Name:
Methylthiomethyl ethyl ketone
Synonyms:
2-Butanone,1-(methylthio)-;1-(Methylthio)-2-butanone;1-Methylthio-2-butanone;Methylthiomethyl ethyl ketone;1-(Methylsulfanyl)butan-2-one;1-Methylsulfanyl-butan-2-one
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

1-(Methylthio)-2-butanone has an odor reminiscent of mushroom, with a characteristic garlic undertone1-(Methylthio)-2-butanone has an odor reminiscent of mushroom, with a characteristic garlic undertone. Can be synthesized from chloro- 1 -butan-2-one.

colourless liquid; odour remniscient of mushroom with a characterisitic garlic undertone

1-(Methylthio)-2-butanone is a ketone.

Methylthiomethyl ethyl ketone Basic Attributes

Molecular Weight：

118.2

Exact Mass：

118.20

EC Number：

237-169-7

UNII：

KPY19W300G

DSSTox ID：

DTXSID4065577

HScode：

2930909090

Characteristics

PSA：

42.4

XLogP3：

1.32850

Density：

0.9970 g/cm³ @ Temp: 22 °C

Boiling Point：

72-73 °C @ Press: 16 Torr

Flash Point：

50.5ºC

Refractive Index：

1.456

Vapor Pressure：

2.32mmHg at 25°C

Methylthiomethyl ethyl ketone Use and Manufacturing

Manufacturing Info：

2-Butanone, 1-(methylthio)-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:118.20
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:118.04523611
Monoisotopic Mass:118.04523611
Topological Polar Surface Area:42.4
Heavy Atom Count:7
Complexity:61.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methylthiomethyl ethyl ketone

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

Methylthiomethyl ethyl ketone

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