3-(Methylthio)propyl acetate
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3-(Methylthio)propyl acetate
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CAS No:
16630-55-0
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Formula:
C6H12O2S
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Chemical Name:
3-(Methylthio)propyl acetate
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Synonyms:
1-Propanol,3-(methylthio)-,1-acetate;1-Propanol,3-(methylthio)-,acetate;3-(Methylthio)propyl acetate;Acetic acid 3-(methylthio)propyl ester;3-Acetoxypropyl methyl sulfide;Methionyl acetate
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CAS No:
Description
colourless liquid with fatty, estery odour
3-methylthiopropyl acetate is an acetate ester obtained by the formal condensation of the hydroxy group of 3-(methylsulfanyl)propan-1-ol with acetic acid. It has a role as a metabolite. It is an acetate ester and a methyl sulfide. It derives from a 3-methylthiopropanol.
Characteristics
51.6
1.30
1.041 g/cm3 @ Temp: 20 °C
96 °C @ Press: 14 Torr
84.5±10.6 °C
1.4610-1.4650
very slightly|very slightly soluble in water; soluble in alcohol and oils
0.247mmHg at 25°C
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
Not Classified
3-(Methylthio)propyl acetate Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:148.23
XLogP3:1.1
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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