S-Methyl 2-methylbutanethioate
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S-Methyl 2-methylbutanethioate
structure -
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CAS No:
42075-45-6
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Formula:
C6H12OS
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Chemical Name:
S-Methyl 2-methylbutanethioate
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Synonyms:
Butanethioic acid,2-methyl-,S-methyl ester;S-Methyl 2-methylbutanethioate;2-Methyl-1-(methylsulfanyl)butan-1-one;72611-97-3
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CAS No:
Characteristics
42.4
1.92210
Colorless to Slight yellow liquild
0.95 g/cm3
158.1ºC at 760 mmHg
44ºC
1.456
insoluble in water; soluble in fats and alcohols
Safety Information
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
H226
|Warning|H226 (99.27%): 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 1375 companies from 4 notifications to the ECHA C&L Inventory.
S-Methyl 2-methylbutanethioate Use and Manufacturing
Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:132.23
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:132.06088618
Monoisotopic Mass:132.06088618
Topological Polar Surface Area:42.4
Heavy Atom Count:8
Complexity:80.6
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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