Isosafrole

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Isosafrole[1]
IUPAC name (E)-5-(Prop-1-enyl)benzo[d][1,3]dioxole
Other names 5-(1-Propenyl)-1,3-benzodioxole
3,4-Methylenedioxyphenyl-1-propene
Identifiers
CAS number trans: 120-58-1
SMILES C/C=C/C1=CC=C2C(OCO2)=C1
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

Except where noted otherwise, data are given for
materials in their standard state
(at 25 °C, 100 kPa)

Infobox disclaimer and references

Isosafrole is an 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.

[edit] References

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