Methyl α-(methylsulfanyl)butyrate
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Methyl α-(methylsulfanyl)butyrate
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CAS No:
51534-66-8
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Formula:
C6H12O2S
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Chemical Name:
Methyl α-(methylsulfanyl)butyrate
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Synonyms:
Butanoic acid,2-(methylthio)-,methyl ester;Methyl α-(methylsulfanyl)butyrate;114184-83-7
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CAS No:
Characteristics
51.60000
1.30100
176.1ºC at 760mmHg
64.4ºC
n20/D 1.461(lit.)
5239 mg/L @ 25 °C (est)
Methyl α-(methylsulfanyl)butyrate Use and Manufacturing
Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:148.23
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:148.05580079
Monoisotopic Mass:148.05580079
Topological Polar Surface Area:51.6
Heavy Atom Count:9
Complexity:93.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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