3-Mercaptohexyl hexanoate
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3-Mercaptohexyl hexanoate
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CAS No:
136954-22-8
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Formula:
C12H24O2S
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Chemical Name:
3-Mercaptohexyl hexanoate
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Synonyms:
Hexanoic acid,3-mercaptohexyl ester;3-Mercaptohexyl hexanoate
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CAS No:
Characteristics
27.3
3.59850
0.950±0.06 g/cm3(Predicted)
307.6±25.0 °C(Predicted)
168.5ºC
1.462
insoluble in water; soluble in 50% heptane and ethanol, 10% triacetin
0.000716mmHg at 25°C
3-Mercaptohexyl hexanoate Use and Manufacturing
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:232.38
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:10
Exact Mass:232.14970118
Monoisotopic Mass:232.14970118
Topological Polar Surface Area:27.3
Heavy Atom Count:15
Complexity:160
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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