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Substance Name: beta-Thujone
RN: 1125-12-8
UNII: 3110787XAY
InChIKey: USMNOWBWPHYOEA-UHFFFAOYSA-N

Note

  • Constituent of many essential oils; present in thuja etc.; ingestion may cause convulsions; active principle of Artemisia absinthium.

Molecular Formula

  • C10-H16-O

Molecular Weight

  • 152.235
 
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Names and Synonyms

Name of Substance

  • beta-Thujone

Synonyms

  • 1-Isopropyl-4-methylbicyclo(3.1.0)hexan-3-one
  • Chrysanthone
  • EINECS 214-405-7
  • NSC 407281
  • Tanacetone
  • UNII-3110787XAY

Systematic Names

  • 1-Isopropyl-4-methylbicyclo(3.1.0)hexan-3-one
  • 3-Thujanone (8CI)
  • Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 1125-12-8

FDA UNII

  • 3110787XAY

System Generated Number

  • 0001125128

Structure Descriptors

InChI

1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3

InChIKey

USMNOWBWPHYOEA-UHFFFAOYSA-N

Smiles

C1[C@@]2(CC(=O)[C@@H]([C@@H]12)C)C(C)C