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Substance Name: beta-Ionone
RN: 14901-07-6
InChIKey: PSQYTAPXSHCGMF-BQYQJAHWSA-N

Note

  • Stimulator of carotenogenesis; carotenoid inhibitor; intermediate in synthesis of Vit A.

Molecular Formula

  • C13-H20-O

Molecular Weight

  • 192.3
 
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Names and Synonyms

Name of Substance

  • beta-Ionone

Synonyms

  • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one
  • beta-Cyclocitrylideneacetone
  • beta-Ionone
  • CCRIS 6249
  • EC 238-969-9
  • EINECS 238-969-9
  • HSDB 8269
  • NSC 402758

Systematic Names

  • 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
  • 4-(2,6,6-Trimethylcyclohex-1-ene-1-yl)-but-3-ene-2-one

Registry Numbers

CAS Registry Number

  • 14901-07-6

System Generated Number

  • 0014901076

Structure Descriptors

InChI

1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

InChIKey

PSQYTAPXSHCGMF-BQYQJAHWSA-N

Smiles

C=1(C(CCCC1C)(C)C)\C=C\C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2277mg/kg (2277mg/kg)   FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 48, 1967.
rat LD50 oral 4590mg/kg (4590mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: TREMOR
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 3.84 (none)   EXP

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