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CAS 120-58-1

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Isosafrole

Description:
Isosafrole is an organic compound classified as a phenylpropene, which is a type of aromatic compound. It is characterized by its colorless to pale yellow liquid form and has a sweet, floral odor reminiscent of anise or licorice. Isosafrole is primarily derived from the essential oil of sassafras and is often used in the fragrance industry and as a flavoring agent. Its chemical structure features a methylene bridge connecting a vinyl group to a phenyl ring, contributing to its reactivity and potential applications. Isosafrole is also known for its role as a precursor in the synthesis of various compounds, including the illicit drug MDMA. It is important to note that isosafrole can be toxic and is subject to regulatory scrutiny due to its potential for misuse. Safety precautions should be taken when handling this substance, as it can cause skin and eye irritation, and inhalation of vapors may lead to respiratory issues.
Formula:C10H10O2
InChI:InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3
InChI key:InChIKey=VHVOLFRBFDOUSH-UHFFFAOYSA-N
SMILES:C(=CC)C=1C=C2C(=CC1)OCO2
Synonyms:
  • 1,2-Methylenedioxy-4-propenylbenzene
  • 1,3-Benzodioxole, 5-(1-propen-1-yl)-
  • 1,3-Benzodioxole, 5-(1-propenyl)-
  • 3,4-(Methylenedioxy)-1-propenylbenzene
  • 3,4-Methylenedioxy-1-propenyl benzene
  • 4-Propenyl-1,2-methylenedioxybenzene
  • 4-Propenylcatechol methylene ether
  • 5-(1-Propen-1-yl)-1,3-benzodioxole
  • 5-(1-Propenyl)-1,3-benzodioxole
  • 5-(Prop-1-En-1-Yl)-1,3-Benzodioxole
  • See more synonyms
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