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Home > Encyclopedia > 5-Hexenyl isothiocyanate

5-Hexenyl isothiocyanate

5-Hexenyl isothiocyanate structure

5-Hexenyl isothiocyanate 

structure
  • CAS No:

    49776-81-0

  • Formula:

    C7H11NS

  • Chemical Name:

    5-Hexenyl isothiocyanate

  • Synonyms:

    1-Hexene,6-isothiocyanato-;6-Isothiocyanato-1-hexene;5-Hexenyl isothiocyanate

Description

Colourless to pale yellow liquid; Pungent irritating aroma

5-Hexenyl isothiocyanate Basic Attributes

141.24 g/mol

141.23

G1Q3G6DQPO

DTXSID90198041

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)

Drug Information

1-hexene, 6-isothiocyanato-

5-Hexenyl isothiocyanate Use and Manufacturing

Uses

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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