Methyl 4-(methylthio)butanoate
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Methyl 4-(methylthio)butanoate
structure -
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CAS No:
53053-51-3
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Formula:
C6H12O2S
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Chemical Name:
Methyl 4-(methylthio)butanoate
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Synonyms:
Butanoic acid,4-(methylthio)-,methyl ester;Methyl 4-(methylthio)butanoate
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CAS No:
Methyl 4-(methylthio)butanoate Basic Attributes
148.23 g/mol
148.22
258-328-7
36I1Z35638
DTXSID00201095
Characteristics
51.6 Ų
1.225 (est)
0.953-0.957
110.00°C.@20.00mmHg
1.467-1.477
4534 mg/L @ 25 °C (est)|insoluble in water; soluble in alcohol
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 91 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl 4-(methylthio)butanoate Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Flavoring Agents
Computed Properties
Molecular Weight:148.23
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:148.05580079
Monoisotopic Mass:148.05580079
Topological Polar Surface Area:51.6
Heavy Atom Count:9
Complexity:83.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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