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Substance Name: Ethyl maltol [NF]
RN: 4940-11-8
UNII: L6Q8K29L05
InChIKey: YIKYNHJUKRTCJL-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Natural Product

Molecular Formula

  • C7-H8-O3

Molecular Weight

  • 140.1372
 
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Names and Synonyms

Name of Substance

  • Ethyl maltol
  • Ethyl maltol [NF]

Synonyms

  • 2-Ethyl pyromeconic acid
  • 2-Ethyl-3-hydroxy-4-pyrone
  • 2-Ethyl-3-hydroxy-4H-pyran-4-one
  • 2-Ethylpyromeconic acid
  • 3-Hydroxy-2-ethyl-1,4-pyrone
  • 3-Hydroxy-2-ethyl-4-pyrone
  • 3-Hydroxy-2-ethyl-4H-pyran-4-one
  • 3-Hydroxy-2-ethyl-gamma-pyrone
  • 4H-Pyran-4-one, 2-ethyl-3-hydroxy-
  • 5-18-01-00135 (Beilstein Handbook Reference)
  • BRN 1618110
  • EINECS 225-582-5
  • Ethyl maltol
  • FEMA No. 3487
  • UNII-L6Q8K29L05
  • Veltol plus

Systematic Names

  • 2-Ethyl-3-hydroxy-4-pyrone
  • 4H-Pyran-4-one, 2-ethyl-3-hydroxy-

Superlist Name

  • 2-Ethyl-3-hydroxy-4-pyrone

Registry Numbers

CAS Registry Number

  • 4940-11-8

FDA UNII

  • L6Q8K29L05

System Generated Number

  • 0004940118

Structure Descriptors

InChI

InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3

InChIKey

YIKYNHJUKRTCJL-UHFFFAOYSA-N

Smiles

CCC1=C(O)C(=O)C=CO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 1270mg/kg (1270mg/kg)   Toxicology and Applied Pharmacology. Vol. 15, Pg. 604, 1969.
mouse LD50 oral 780mg/kg (780mg/kg)   Toxicology and Applied Pharmacology. Vol. 15, Pg. 604, 1969.
mouse LD50 subcutaneous 910mg/kg (910mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 1008, 1974.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 805, 1975.
rat LD50 oral 1150mg/kg (1150mg/kg)   Toxicology and Applied Pharmacology. Vol. 15, Pg. 604, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.63 (none)   EXP
Water Solubility 2.42E+04 mg/L 25 EST
Vapor Pressure 1.45E-04 mm Hg 25 EST
Henry's Law Constant 8.69E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.10E-11 cm3/molecule-sec 25 EST

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