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329606 Aldrich

Isosafrol

mixture of cis and trans

Synonym: 1,2-Methylenedioxy-4-propenylbenzene

  • CAS Number 120-58-1

  • Empirical Formula (Hill Notation) C10H10O2

  • Molecular Weight 162.19

  •  Beilstein Registry Number 82640

  •  EC Number 204-410-2

  •  MDL number MFCD00005838

  •  PubChem Substance ID 24859803

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Properties

Related Categories Acyclic, Alkenes, Building Blocks, Chemical Synthesis, Organic Building Blocks More...
InChI Key   VHVOLFRBFDOUSH-NSCUHMNNSA-N
refractive index   n20/D 1.573(lit.)
bp   77-86 °C/3.5 mmHg(lit.)
density   1.12 g/mL at 25 °C(lit.)

Description

Packaging

25 mL in glass bottle

Application

Isosafrol was used in preparation of 1-(3,4-methylenedioxyphenyl)-2-propanone (MDP-2-P or PMK).

General description

Isosafrol is also referred as 1,2-methylenedioxy-4(1-propenyl)benzene. It is an important intermediate for the synthesis of drugs like L-DOPA. Peracid oxidation of isosafrole yields isomers of 2,4-dimethyl-3,5-bis(3,4-methylenedioxyphenyl)tetrahydrofuran. Encapsulated vanadyl compounds in Y-zeolite pores catalyzed isosafrol oxidation under microwave irradiation was reported.

Other Notes

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 329606.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
RIDADR 
UN 3082 9 / PGIII
WGK Germany 
3
RTECS 
DA5950000
Flash Point(F) 
235.4 °F
Flash Point(C) 
113 °C

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Protocols & Articles
Peer-Reviewed Papers
15

References

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