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Substance Name: delta-Damascone
RN: 57378-68-4
UNII: 7F4RIE5P7E
InChIKey: XEJGJTYRUWUFFD-FNORWQNLSA-N

Molecular Formula

  • C13-H20-O

Molecular Weight

  • 192.3
 
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Names and Synonyms

Name of Substance

  • delta-Damascone

Synonyms

  • 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one
  • 2-Buten-1-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
  • 8-Damascone
  • BRN 1939321
  • delta-Damascone
  • EINECS 260-709-8
  • FEMA No. 3622
  • UNII-7F4RIE5P7E

Systematic Names

  • 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one
  • 2-Buten-1-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-

Superlist Name

  • Damascone, delta-

Registry Numbers

CAS Registry Number

  • 57378-68-4

FDA UNII

  • 7F4RIE5P7E

Other Registry Number

  • 41436-42-4

System Generated Number

  • 0057378684

Structure Descriptors

InChI

1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+

InChIKey

XEJGJTYRUWUFFD-FNORWQNLSA-N

Smiles

C1([C@@H]([C@@H](C=CC1)C)C(\C=C\C)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1821mg/kg (1821mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.