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Substance Name: Methylionone
RN: 1335-46-2
InChIKey: VPKMGDRERYMTJX-CMDGGOBGSA-N

Note

  • Ingredient in perfume which may cause contact dermatitis.

Molecular Formula

  • C14-H22-O

Molecular Weight

  • 206.327
 
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Names and Synonyms

Name of Substance

  • Methylionone

Synonyms

  • 6-Methylionone
  • EC 215-635-0
  • EINECS 215-635-0
  • FEMA No. 2711
  • Methylionone

Systematic Name

  • Ionone, methyl-

Superlist Name

  • Ionone, methyl-

Registry Numbers

CAS Registry Number

  • 1335-46-2

System Generated Number

  • 0001335462

Structure Descriptors

InChI

1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+

InChIKey

VPKMGDRERYMTJX-CMDGGOBGSA-N

Smiles

O=C(CC)\C=C\[C@@H]1C(C)=CCCC1(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 5gm/kg (5000mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 22, Pg. 1513, 1980.