Safrole
CAS Registry Number®
94-59-7
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CAS Name
SafroleMolecular Formula
C10H10O2Molecular Mass
162.19Cite this Page
Safrole. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=94-59-7 (retrieved ) (CAS RN: 94-59-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
234.5 °C @ Press: 760 TorrMelting Point (1)
11.2 °CDensity (1)
1.096 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/h2,4-6H,1,3,7H2
InChIKey
InChIKey=ZMQAAUBTXCXRIC-UHFFFAOYSA-N
SMILES
C(C=C)C=1C=C2C(=CC1)OCO2
Canonical SMILES
O1C2=CC=C(C=C2OC1)CC=C
Other Names for this Substance
- 1,3-Benzodioxole, 5-(2-propen-1-yl)-
- Benzene, 4-allyl-1,2-(methylenedioxy)-
- 1,3-Benzodioxole, 5-(2-propenyl)-
- 5-(2-Propen-1-yl)-1,3-benzodioxole
- Allylcatechol methylene ether
Deleted or Replaced CAS Registry Numbers
1406-55-9, 8022-92-2, 1548770-71-3
