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Substance Name: Valone
RN: 83-28-3
UNII: 2V8VCY004E
InChIKey: PVWMAOPFDINGAY-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide
  • Out-Dated Pesticide
  • Rodenticide

Molecular Formula

  • C14-H14-O3

Molecular Weight

  • 230.2616
 
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Names and Synonyms

Name of Substance

  • Valone

Synonyms

  • 2-Isopentanoyl-1,3-indanedione
  • 2-Isovaleryl-1,3-indanedione
  • 2-Isovalerylindan-1,3-dione
  • 2-Isovalerylindane-1,3-dione
  • 4-07-00-02791 (Beilstein Handbook Reference)
  • AI3-00366
  • BRN 2116374
  • Caswell No. 515
  • EINECS 201-464-9
  • EPA Pesticide Chemical Code 067702
  • HSDB 7118
  • Isoval
  • Isovaleryl indandione
  • Motomco tracking powder
  • NSC 404427
  • UNII-2V8VCY004E
  • Valone

Systematic Names

  • 1,3-Indandione, 2-isovaleryl-
  • 1H-Indene-1,3(2H)-dione, 2-(3-methyl-1-oxobutyl)-
  • 1H-Indene-1,3(2H)-dione, 2-(3-methyl-1-oxobutyl)- (9CI)
  • 2-Isovalerylindan-1,3-dione

Superlist Name

  • 2-Isovaleryl-1,3-indandione

Registry Numbers

CAS Registry Number

  • 83-28-3

FDA UNII

  • 2V8VCY004E

System Generated Number

  • 0000083283

Structure Descriptors

InChI

1S/C14H14O3/c1-8(2)7-11(15)12-13(16)9-5-3-4-6-10(9)14(12)17/h3-6,8,12H,7H2,1-2H3

InChIKey

PVWMAOPFDINGAY-UHFFFAOYSA-N

Smiles

CC(C)CC(=O)C1C(=O)c2ccccc2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo oral 150mg/kg (150mg/kg) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 160, 1944.
rat LDLo oral 100mg/kg (100mg/kg) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 160, 1944.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 68-69 deg C   EXP
log P (octanol-water) 2.910 (none)   EST
Water Solubility 99.4 mg/L 25 EST
Vapor Pressure 6.88E-06 mm Hg 25 EST
Henry's Law Constant 9.34E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.00E-11 cm3/molecule-sec 25 EST

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