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Substance Name: Safrole oxide
RN: 7470-44-2
UNII: 1X8LBY54MV
InChIKey: KZYXVVGEWCXONF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H10-O3

Molecular Weight

  • 178.186
 
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Names and Synonyms

Name of Substance

  • Safrole oxide

Synonyms

  • 1,3-Benzodioxole, 5-(2,3-epoxypropyl)-
  • 2',3'-Epoxysafrol
  • 2',3'-Epoxysafrol [French]
  • 2',3'-Epoxysafrole
  • 5-(Oxiranylmethyl)-1,3-benzodioxole
  • 5-19-09-00191 (Beilstein Handbook Reference)
  • AI3-33068
  • BRN 0163628
  • NSC 402793
  • Safrole epoxide
  • Safrole oxide
  • Safrole-2',3'-oxide
  • UNII-1X8LBY54MV

Systematic Names

  • 1,3-Benzodioxole, 5-(oxiranylmethyl)- (9CI)
  • Benzene, 4-(2,3-epoxypropyl)-1,2-(methylenedioxy)-

Registry Numbers

CAS Registry Number

  • 7470-44-2

FDA UNII

  • 1X8LBY54MV

System Generated Number

  • 0007470442

Structure Descriptors

InChI

1S/C10H10O3/c1-2-9-10(13-6-12-9)4-7(1)3-8-5-11-8/h1-2,4,8H,3,5-6H2

InChIKey

KZYXVVGEWCXONF-UHFFFAOYSA-N

Smiles

O1[C@@H](Cc2cc3OCOc3cc2)C1