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Substance Name: beta-Damascone, (E)-
RN: 23726-91-2
UNII: I75J0X33Q6
InChIKey: BGTBFNDXYDYBEY-FNORWQNLSA-N

Molecular Formula

  • C13-H20-O

Molecular Weight

  • 192.3
 
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Names and Synonyms

Name of Substance

  • beta-Damascone, (E)-

Synonyms

  • (E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
  • (E)-1-(2,6,6-Trimethylcyclohex-1-enyl)-2-buten-1-one
  • (E)-beta-Damascone
  • beta-Damascone
  • BRN 2046078
  • EC 245-842-1
  • EINECS 245-842-1
  • FEMA 3243
  • Rose dihydroketone
  • trans-beta-Damascone
  • UNII-I75J0X33Q6

Systematic Names

  • (E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
  • 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-
  • 2-Buten-1-one, 1-(2,6,6-trimethylcyclohex-1-enyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 23726-91-2

FDA UNII

  • I75J0X33Q6

System Generated Number

  • 0023726912

Structure Descriptors

InChI

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

InChIKey

BGTBFNDXYDYBEY-FNORWQNLSA-N

Smiles

C\C=C\C(=O)C1=C(C)CCCC1(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2920mg/kg (2920mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 487, 1975.