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Substance Name: Pseudoionone
RN: 141-10-6
UNII: H1KUL01Y8O
InChIKey: JXJIQCXXJGRKRJ-KOOBJXAQSA-N

Molecular Formula

  • C13-H20-O

Molecular Weight

  • 192.3
 
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Names and Synonyms

Name of Substance

  • Pseudoionone

Synonyms

  • 2,6-Dimethylundeca-2,6,8-triene-10-one
  • 6,10-Dimethyl-3,5,9-undecatrien-2-one
  • 6,10-Dimethyl-3,5,9-undecatriene-2-one
  • AI3-22131
  • Citrylideneacetone
  • EC 205-457-1
  • EINECS 205-457-1
  • Pseudoionone
  • Pseudoionones
  • UNII-H1KUL01Y8O

Systematic Names

  • 3,5,9-Undecatrien-2-one, 6,10-dimethyl-
  • 6,10-Dimethylundeca-3,5,9-trien-2-one

Superlist Name

  • Pseudoionone

Registry Numbers

CAS Registry Number

  • 141-10-6

FDA UNII

  • H1KUL01Y8O

System Generated Number

  • 0000141106

Structure Descriptors

InChI

1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+

InChIKey

JXJIQCXXJGRKRJ-KOOBJXAQSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo skin 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 311, 1988.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 311, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 4.430 (none)   EST
Atmospheric OH Rate Constant 2.61E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.