Safrole

CAS Registry Number®

94-59-7

CAS Name

Safrole

Molecular Formula

C10H10O2

Molecular Mass

162.19

Cite 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 2024-11-22) (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 Torr

  • Melting Point (1)

    11.2 °C

  • Density (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

View All

Deleted or Replaced CAS Registry Numbers

1406-55-9, 8022-92-2, 1548770-71-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration