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115-31-1

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Basic Information
CAS No.: 115-31-1
Name: ISOBORNYL THIOCYANOACETATE
Article Data: 3
Molecular Structure:
Molecular Structure of 115-31-1 (ISOBORNYL THIOCYANOACETATE)
Formula: C13H19 N O2 S
Molecular Weight: 253.365
Synonyms: Aceticacid, thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester,rel- (9CI);Acetic acid, thiocyanato-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-ylester, exo-;Acetic acid, thiocyanato-, isobornyl ester (6CI,7CI,8CI);Bornate;Cidalon;Isobornyl thiocyanatoacetate;Isobornyl thiocyanoacetate;NSC 3552;SX850;Terpinyl thiocyanoacetate;Thanisol;Thanite;Thiocyanatoacetic acidisobornyl ester;8012-19-9;
EINECS: 204-081-5
Density: 1.15g/cm3
Melting Point: ?48?°C(lit.)
Boiling Point: 340.5°Cat760mmHg
Flash Point: 159.7°C
Appearance: Light-Yellow Clear Liquid
Hazard Symbols: Toxic by ingestion, strong irritant.
Risk Codes: 22-50/53
Safety: A poison by intraperitoneal route. Moderately toxic by ingestion. Sltly toxic by skin contact. Very irritating to eyes, mucous membranes, and skin. Flammable when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOCYANATES and ESTERS. Used as an FDA over-the-counter drug; an insecticide and fly spray.
PSA: 75.39000
LogP: 2.95868
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Chemistry

IUPAC Name: (1,7,7-Trimethylnorbornan-2-yl) 2-thiocyanatoacetate
Synonyms of Isobornyl thiocyanatoacetate (CAS NO.87-19-4) : 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (cyanothio)acetate ; 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl thiocyanatoacetate ; Acetic acid, thiocyanato-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo- ; Isobornyl thiocyanoacetate ; Thiocyanatoacétate de 1,7,7-triméthylbicyclo[2.2.1]hept-2-yle
CAS NO:87-19-4
Molecular Formula:C11H14O3
Molecular Weight :194.23
Molecular Structure :
EINECS: 204-081-5
Index of Refraction:1.533
Surface Tension: 45.2 dyne/cm
Density: 1.15 g/cm3
Flash Point: 159.7 °C
Enthalpy of Vaporization: 58.4 kJ/mol
Boiling Point: 340.5 °C at 760 mmHg
Vapour Pressure: 8.59E-05 mmHg at 25°C 
Solubility: insoluble in water, soluble in alcohol, benzene, chloroform and ether.

Uses

 Isobornyl thiocyanatoacetate (CAS NO.87-19-4) is used as agricultural fungicides.

Toxicity Data With Reference

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.

 

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A poison by intraperitoneal route. Moderately toxic by ingestion. Sltly toxic by skin contact. Very irritating to eyes, mucous membranes, and skin. Flammable when exposed to heat or flame; can react vigorously with oxidizing materials. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also THIOCYANATES and ESTERS. Used as an FDA over-the-counter drug; an insecticide and fly spray.

Hazard Codes HarmfulXn,DangerousN
Risk Statements 22-50/53
R22: Isobornyl thiocyanatoacetate (CAS NO.87-19-4) is harmful if swallowed. 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements 24/25-60-61
S24/25:Avoid contact with skin and eyes. 
S60:This material and its container must be disposed of as hazardous waste. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.