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Substance Name: Octyl thiocyanate
RN: 19942-78-0
UNII: F55XC7W6Y5
InChIKey: FGVYCHQRRXDRAR-UHFFFAOYSA-N

Molecular Formula

  • C9-H17-N-S

Molecular Weight

  • 171.306
 
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Names and Synonyms

Name of Substance

  • Octyl thiocyanate

Synonyms

  • 1-Thiocyanatooctane
  • 4-03-00-00331 (Beilstein Handbook Reference)
  • AI3-01125
  • BRN 1755531
  • EINECS 243-436-9
  • NSC 100743
  • Octyl rhodanate
  • Octyl thiocyanate
  • Oktylthiokyanat
  • Oktylthiokyanat [Czech]
  • UNII-F55XC7W6Y5

Systematic Names

  • Octyl thiocyanate
  • Thiocyanic acid, octyl ester

Registry Numbers

CAS Registry Number

  • 19942-78-0

FDA UNII

  • F55XC7W6Y5

System Generated Number

  • 0019942780

Structure Descriptors

InChI

1S/C9H17NS/c1-2-3-4-5-6-7-8-11-9-10/h2-8H2,1H3

InChIKey

FGVYCHQRRXDRAR-UHFFFAOYSA-N

Smiles

C(CCCCC)CCSC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 264mg/kg (264mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
mouse LD50 intraperitoneal 133mg/kg (133mg/kg)   Pesticide Biochemistry and Physiology. Vol. 2, Pg. 95, 1972.
mouse LDLo subcutaneous 730mg/kg (730mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
rat LDLo oral 1368mg/kg (1368mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
rat LDLo skin 2280mg/kg (2280mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: "CHANGES IN CIRCULATION (HEMORRHAGE, THROMBOSIS, ETC.)"
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.
rat LDLo subcutaneous 5016mg/kg (5016mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene and Toxicology. Vol. 18, Pg. 310, 1936.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 105 deg C   EXP
log P (octanol-water) 4.160 (none)   EST
Atmospheric OH Rate Constant 1.73E-11 cm3/molecule-sec 25 EST

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