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Substance Name: Mesitene lactone
RN: 675-09-2
UNII: G2MA4KIQ1B
InChIKey: IXYLIUKQQQXXON-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-O2

Molecular Weight

  • 124.138
 
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Names and Synonyms

Name of Substance

  • Mesitene lactone

Synonyms

  • 2,4-Dimethyl-alpha-pyrone
  • 4,6-Dimethyl-2-pyrone
  • 4,6-Dimethyl-alpha-pyrone
  • 4,6-Dimethylcoumalin
  • 5-17-09-00409 (Beilstein Handbook Reference)
  • BRN 0002468
  • EINECS 211-618-7
  • Mesitene lactone
  • NSC 402790
  • UNII-G2MA4KIQ1B

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 675-09-2

FDA UNII

  • G2MA4KIQ1B

System Generated Number

  • 0000675092

Structure Descriptors

InChI

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

InChIKey

IXYLIUKQQQXXON-UHFFFAOYSA-N

Smiles

CC1=CC(=CC(=O)O1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Acta Pharmacologica et Toxicologica. Vol. 2, Pg. 109, 1946.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 51.5 deg C   EXP
Boiling Point 245 deg C   EXP
log P (octanol-water) 0.850 (none)   EST
Atmospheric OH Rate Constant 9.13E-11 cm3/molecule-sec 25 EST

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