3-METHYLTHIO-2-BUTANONE
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3-METHYLTHIO-2-BUTANONE
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CAS No:
53475-15-3
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Formula:
C5H10OS
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Chemical Name:
3-METHYLTHIO-2-BUTANONE
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Synonyms:
3-(Methylsulfanyl)butan-2-one;DL-3-(METHYLTHIO)-2-BUTANONE;3-METHYLMERCAPTO-2-BUTANONE;2-Butanone, 3-(methylthio)-;3-(Methylsulfanyl)-2-butanone;DL-3-(methylthio)butanone;3-(METHYLTHIO)-2-BUTANONE 99%;2-Butanone, 3-(methylthio)- (6CI,9CI)
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CAS No:
Description
clear yellow to light greenish liquid Colorless to yellow liquid; pungent odor
Colourless to yellow liquid; Pungent odour
3-(Methylthio)-2-butanone is a ketone.
Characteristics
42.37000
1.32690
yellow liquid
0.975 g/mL at 25 °C(lit.)
50-54 °C20 mm Hg(lit.)
112 °F
n20/D1.471(lit.)
Sparingly soluble|Soluble (in ethanol)
Flammables area
at 1.00 % in propylene glycol. sulfurous milky oily potato earthy fatty
Flammables area
Safety Information
III
3.2
UN 1224 3/PG 3
3
10
23-24/25
10
UN 1224 3/PG 3
|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1413 companies from 1 notifications to the ECHA C&L Inventory.
3-METHYLTHIO-2-BUTANONE Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:118.20
XLogP3:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:118.04523611
Monoisotopic Mass:118.04523611
Topological Polar Surface Area:42.4
Heavy Atom Count:7
Complexity:70.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes