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Substance Name: Zingerone
RN: 122-48-5
UNII: 4MMW850892
InChIKey: OJYLAHXKWMRDGS-UHFFFAOYSA-N

Note

  • Pungent principle of ginger.

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C11-H14-O3

Molecular Weight

  • 194.2286
 
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Names and Synonyms

Name of Substance

  • Zingerone

Synonyms

  • (4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone
  • (O)-Paradol
  • 2-(4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone
  • 2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-
  • 3-Methoxy-4-hydroxy-benzylacetone
  • 4-(3-Methoxy-4-hydroxyphenyl)-2-butanone
  • 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone
  • 4-08-00-01866 (Beilstein Handbook Reference)
  • 4-Hydroxy-3-methoxybenzylacetone
  • AI3-31837
  • BRN 2051099
  • CCRIS 2036
  • EINECS 204-548-3
  • FEMA No. 3124
  • Gingerone
  • HSDB 1064
  • NSC 15335
  • UNII-4MMW850892
  • Vanillyl acetone
  • Vanillylacetone
  • Zingerone
  • Zingherone
  • Zingiberone

Systematic Names

  • 2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-
  • 4-(4-Hydroxy-3-methoxyphenyl)butan-2-one
  • Zingerone

Superlist Name

  • Zingerone

Registry Numbers

CAS Registry Number

  • 122-48-5

FDA UNII

  • 4MMW850892

System Generated Number

  • 0000122485

Structure Descriptors

InChI

InChI=1S/C11H14O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-7,13H,3-4H2,1-2H3

InChIKey

OJYLAHXKWMRDGS-UHFFFAOYSA-N

Smiles

COc1cc(CCC(=O)C)ccc1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 851, 1982.
rat LD50 oral 2580mg/kg (2580mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 851, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 40.5 deg C   EXP
log P (octanol-water) 1.310 (none)   EST
Atmospheric OH Rate Constant 4.24E-11 cm3/molecule-sec 25 EST

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