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CSA Names: Isosafrole
CSA Location: Listed Chemicals Section (a) Subsection (16) DEA code 8704
CSA History: 56 FR 27471 proposed to add on 21 Jun 1991
56 FR 48732 added effective 26 Sep 1991
62 FR 5914 replacement for “[Reserved]” effective 10 Feb 1997
Names: 5-[(1E)-Prop-1-en-1-yl]-1,3-benzodioxole (IUPAC)
Molecular formula: C10H10O2
Nominal mass: 162
Average mass: 162.1852
Monoisotopic mass: 162.068080
CAS registry number: 120-58-1
ChemSpider: 21106329
PubChem: 637796
Wikipedia: Isosafrole
Standard InChI: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+
SMILES: C/C=C/c1ccc2c(c1)OCO2
Property Value Remarks
Property Value Remarks
Location Type Remarks
isosafrole atr ir.pdf ATR IR Thermo Nicolet
Isosafrole MS (NIST).pdf Condensed Phase IR Used with the permission of COBLENTZ SOCIETY Collection (C) 2009 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Isosafrole.pdf EI MS UV FTIR NMR Used with permission of CND Analytical. From "Analytical Profiles of Precursors and Essential Chemicals"
isosafrole-raman.pdf RAMAN GBI DOFS
Vendor ID URL
Lipomed SAF-1076
Spectrum S2330§ion=22807&kw=isosafrole&searchlov=-1
THC Pharm THC-1399G
Title Publication Date Vol. Iss. Page(s) Remarks
Title Publication Date Vol. Iss. Page(s) Remarks
Database ID URL
SWGDRUG Mass Spectral Library 1272
Mass Spectra of Designer Drugs 2010
Substance name
Substance name
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