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Substance Name: 2,6-Dimethyl-4-pyranone
RN: 1004-36-0
UNII: V2D262MF0L
InChIKey: VSYFZULSKMFUJJ-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-O2

Molecular Weight

  • 124.1382
 
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Names and Synonyms

Name of Substance

  • 2,6-Dimethyl-4-pyranone

Synonyms

  • 2,6-Dimethyl-4-pyranone
  • 2,6-Dimethyl-4-pyrone
  • 2,6-Dimethyl-4H-pyran-4-one
  • 2,6-Dimethyl-gamma-pyrone
  • 5-17-09-00410 (Beilstein Handbook Reference)
  • AI3-05951
  • BRN 0107418
  • CCRIS 3601
  • EINECS 213-719-1
  • NSC 48105
  • NSC 8735
  • UNII-V2D262MF0L

Systematic Names

  • 2,6-Dimethyl-4-pyrone
  • 4H-Pyran-4-one, 2,6-dimethyl-

Registry Numbers

CAS Registry Number

  • 1004-36-0

FDA UNII

  • V2D262MF0L

System Generated Number

  • 0001004360

Structure Descriptors

InChI

1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3

InChIKey

VSYFZULSKMFUJJ-UHFFFAOYSA-N

Smiles

Cc1cc(=O)cc(o1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01722,
mouse LD50 oral 1670mg/kg (1670mg/kg)   Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. Vol. 12, Pg. 520, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 132 deg C   EXP
Boiling Point 251 deg C   EXP
log P (octanol-water) 0.1 (none)   EXP
Water Solubility 7.96E+04 mg/L 25 EST
Vapor Pressure 0.426 mm Hg 25 EST
Henry's Law Constant 8.28E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.11E-11 cm3/molecule-sec 25 EST

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