Isosafrole

Isosafrole[1]
Identifiers
CAS number 120-58-1 N
[4043-71-4] (trans)
[17627-76-8] (cis)
ChemSpider 21106329 Y
ChEMBL CHEMBL487603 Y
Jmol-3D images Image 1
Properties
Molecular formula C10H10O2
Molar mass 162.188 g/mol
Density 1.1206 g/cm3, trans
1.1182 g/cm3, cis
Melting point

8.2 °C, trans
-21.5 °C, cis

Boiling point

253 °C, trans
77–79 °C, cis @ 3.5 mmHg

 N (verify) (what is: Y/N?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Isosafrole is a phenylpropene, a type of aromatic organic chemical with a smell similar to anise or licorice. It is found in small amounts in various essential oils, but is most commonly obtained by isomerizing the plant oil safrole.

It forms two geometric isomers: cis-isosafrole and trans-isosafrole.

Isosafrole is a precursor for MDP2P which is converted into the psychoactive drug MDMA ('ecstasy'). As such requires permits to purchase or sell in any significant quantity in the US.

References

  1. ^ Merck Index, 11th Edition, 5112.