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Substance Name: Isoprothiolane [BSI:ISO]
RN: 50512-35-1
UNII: 88HCS898G6
InChIKey: UFHLMYOGRXOCSL-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Insecticide

Molecular Formula

  • C12-H18-O4-S2

Molecular Weight

  • 290.402
 
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Names and Synonyms

Results Name

  • Isoprothiolane [BSI:ISO]

Name of Substance

  • Isoprothiolane
  • Isoprothiolane [BSI:ISO]

Synonyms

  • Bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate (9CI)
  • BRN 2128528
  • Di-isopropyl 1,3-dithiolane-2-ylidenemalonate
  • Fudiolan
  • Fuji 1
  • Fujione
  • IPT
  • IPT (pesticide)
  • Isoprothiolane
  • NKK 100
  • NNF-109
  • SS 11946
  • UNII-88HCS898G6

Systematic Names

  • 1,3-Dithiolan-2-ylidenepropanedioic acid, bis(1-methylethyl) ester
  • Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester

Registry Numbers

CAS Registry Number

  • 50512-35-1

FDA UNII

  • 88HCS898G6

System Generated Number

  • 0050512351

Structure Descriptors

InChI

1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3

InChIKey

UFHLMYOGRXOCSL-UHFFFAOYSA-N

Smiles

C(=C1\SCCS1)(\C(OC(C)C)=O)C(OC(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 3860mg/kg (3860mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 20, 1976.
frog LD50 oral 75mg/kg (75mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 20, 1976.
guinea pig LD50 oral 1020mg/kg (1020mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 20, 1976.
mouse LD50 intraperitoneal 440mg/kg (440mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 20, 1976.
mouse LD50 oral 1340mg/kg (1340mg/kg)   Pesticide Manual. Vol. 9, Pg. 506, 1991.
mouse LD50 skin > 10250mg/kg (10250mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 20, 1976.
mouse LD50 subcutaneous > 5gm/kg (5000mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 20, 1976.
rabbit LD50 oral 2320mg/kg (2320mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 20, 1976.
rat LD50 intraperitoneal 480mg/kg (480mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 20, 1976.
rat LD50 oral 1190mg/kg (1190mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C174, 1991.
rat LD50 skin 10250mg/kg (10250mg/kg)   Japan Pesticide Information. Vol. (40), Pg. 32, 1982.
rat LD50 subcutaneous > 5gm/kg (5000mg/kg)   Japan Pesticide Information. Vol. (27), Pg. 20, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54 deg C   EXP
log P (octanol-water) 2.88 (none)   EXP
Water Solubility 54 mg/L 25 EXP
Vapor Pressure 0.0143 mm Hg 25 EXP
Henry's Law Constant 1.01E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.52E-11 cm3/molecule-sec 25 EST

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