Isosafrole
CAS Registry Number®
120-58-1
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CAS Name
IsosafroleMolecular Formula
C10H10O2Molecular Mass
162.19Cite this Page
Isosafrole. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=120-58-1 (retrieved ) (CAS RN: 120-58-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
252 °CMelting Point (1)
6.7-6.8 °CDensity (1)
1.122 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3
InChIKey
InChIKey=VHVOLFRBFDOUSH-UHFFFAOYSA-N
SMILES
C(=CC)C=1C=C2C(=CC1)OCO2
Canonical SMILES
O1C2=CC=C(C=CC)C=C2OC1
Other Names for this Substance
- 1,3-Benzodioxole, 5-(1-propen-1-yl)-
- Isosafrole
- Benzene, 1,2-(methylenedioxy)-4-propenyl-
- 1,3-Benzodioxole, 5-(1-propenyl)-
- 5-(1-Propen-1-yl)-1,3-benzodioxole
Deleted or Replaced CAS Registry Numbers
191281-03-5
