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Substance Name: 3,5,9-Undecatrien-2-one, 3,6,10-trimethyl-
RN: 1117-41-5
InChIKey: PRMAVUPVLGOONQ-JOWSBRCASA-N

Molecular Formula

  • C14-H22-O

Molecular Weight

  • 206.327
 
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Names and Synonyms

Synonyms

  • 2,6,9-Trimethylundeca-2,6,8-trien-10-one
  • 3,5,9-Undecatrien-2-one, 3,6,10-trimethyl-
  • 3,6,10-Trimethylundeca-3,5,9-trien-2-one
  • EINECS 214-245-8
  • Iso-methylpseudoionone
  • Methylisopseudoionone
  • Pseudo-Isomethyl ionone

Systematic Names

  • 3,5,9-Undecatrien-2-one, 3,6,10-trimethyl-
  • 3,6,10-Trimethylundeca-3,5,9-trien-2-one

Registry Numbers

CAS Registry Number

  • 1117-41-5

Other Registry Number

  • 5659-78-9

System Generated Number

  • 0001117415

Structure Descriptors

InChI

1S/C14H22O/c1-11(2)7-6-8-12(3)9-10-13(4)14(5)15/h7,9-10H,6,8H2,1-5H3/b12-9+,13-10+

InChIKey

PRMAVUPVLGOONQ-JOWSBRCASA-N

Smiles

O=C(\C(=C\C=C(\CC\C=C(\C)C)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 2500mg/kg (2500mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 413, 1988.
rat LDLo oral 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 413, 1988.