(Methylthio)methyl butanoate
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(Methylthio)methyl butanoate
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CAS No:
74758-93-3
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Formula:
C6H12O2S
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Chemical Name:
(Methylthio)methyl butanoate
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Synonyms:
Butanoic acid,(methylthio)methyl ester;(Methylthio)methyl butanoate;Methylthiomethyl butyrate;(Methylsulfanyl)methyl butanoate
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CAS No:
Description
Methylthiomethyl butyrate has a metallic fruity odor.
colourless to pale yellow liquid with metallic fruity odour
Characteristics
51.6
1.88
colorless to pale yellow clear liquid
1.0±0.1 g/cm3
182.3±23.0 °C at 760 mmHg
68.6±10.6 °C
1.459
very slightly|very slightly soluble in water; soluble in alcohols and oils
Safety Information
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (99.93%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1377 companies from 2 notifications to the ECHA C&L Inventory.
(Methylthio)methyl 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
XLogP3:1.7
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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