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Substance Name: Isobornyl thiocyanoacetate
RN: 115-31-1
UNII: S2JCO0983X
InChIKey: IXEVGHXRXDBAOB-BREBYQMCSA-N

Note

  • Insecticide that is potential tool for live collection of fish because it induces surfacing response.

Molecular Formula

  • C13-H19-N-O2-S

Molecular Weight

  • 253.3641
 

Classification Codes

  • Agricultural Chemical
  • Insecticide
  • Out-Dated Pesticide
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Names and Synonyms

Name of Substance

  • Isobornyl thiocyanoacetate

Synonyms

  • 1,7,7-Trimethylbicyclo(2,2,1)hept-2-ylthiocyanatoacetate
  • 1,7,7-Trimethylnorbornan-2-yl thiocyanoacetate
  • Acetic acid, thiocyanato-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, exo-
  • Acetic acid, thiocyanato-, isobornyl ester, exo-
  • AI3-00092
  • Bornate
  • BRN 2458720
  • Caswell No. 503
  • Cidalon
  • EINECS 204-081-5
  • ENT 92
  • EPA Pesticide Chemical Code 047101
  • exo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl thiocyanatoacetate
  • HSDB 1727
  • Isoborneol, thiocyanatoacetate
  • Isobornyl thiocyanatoacetate
  • Isobornyl thiocyanatoacetate, technical
  • Isobornyl thiocyanoacetate
  • Isobornylester kyseliny thiokyanatooctove
  • Isobornylester kyseliny thiokyanatooctove [Czech]
  • NSC 3552
  • Terpinyl thiocyanoacetate
  • Thanisol
  • Thanite
  • Thanite (hercules powder)
  • Thiocyanatoacetic acid 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester
  • Thiocyanatoacetic acid isobornyl ester
  • UNII-S2JCO0983X

Systematic Names

  • 1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl thiocyanatoacetate
  • Acetic acid, 2-thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel-
  • Acetic acid, thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, rel-
  • Acetic acid, thiocyanato-, 1,7,7-trimethylbicyclo(2,2,1)hept-2-yl ester, exo- (9CI)
  • Acetic acid, thiocyanato-, isobornyl ester

Superlist Name

  • Isobornyl thiocyanoacetate

Registry Numbers

CAS Registry Number

  • 115-31-1

FDA UNII

  • S2JCO0983X

Other Registry Numbers

  • 55870-89-8
  • 8012-19-9

System Generated Number

  • 0000115311

Structure Descriptors

InChI

1S/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10-,13+/m1/s1

InChIKey

IXEVGHXRXDBAOB-BREBYQMCSA-N

Smiles

CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](C2)OC(=O)CSC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 551mg/kg (551mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C300, 1991.
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Pesticide Biochemistry and Physiology. Vol. 2, Pg. 95, 1972.
rabbit LD50 oral 630mg/kg (630mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 82, Pg. 377, 1944.
rabbit LD50 skin 6gm/kg (6000mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.
rat LD50 oral 1gm/kg (1000mg/kg)   Yakkyoku. Pharmacy. Vol. 37, Pg. 1323, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.750 (none)   EST
Water Solubility 14.2 mg/L 25 EST
Vapor Pressure 2.50E-05 mm Hg 25 EST
Henry's Law Constant 2.60E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.96E-12 cm3/molecule-sec 25 EST

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