5-Hexenyl isothiocyanate
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5-Hexenyl isothiocyanate
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CAS No:
49776-81-0
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Formula:
C7H11NS
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Chemical Name:
5-Hexenyl isothiocyanate
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Synonyms:
1-Hexene,6-isothiocyanato-;6-Isothiocyanato-1-hexene;5-Hexenyl isothiocyanate
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CAS No:
Characteristics
44.4 Ų
3.416 (est)
0.955-0.965 (20°)
213.00to214.00°C.@760.00mmHg
1.506-1.516
very slightly|Very slightly soluble in water; freely soluble in ether|Soluble (in ethanol)
5-Hexenyl isothiocyanate Use and Manufacturing
Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:141.24
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:141.06122053
Monoisotopic Mass:141.06122053
Topological Polar Surface Area:44.4
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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