Thiocyanic acid, octylester

Modify Date: 2024-01-09 21:15:57

Thiocyanic acid, octylester Structure
Thiocyanic acid, octylester structure
Common Name Thiocyanic acid, octylester
CAS Number 19942-78-0 Molecular Weight 171.30300
Density 0.8625 Boiling Point 170ºC
Molecular Formula C9H17NS Melting Point 21ºC
MSDS N/A Flash Point 184ºC

 Names

Name octyl thiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.8625
Boiling Point 170ºC
Melting Point 21ºC
Molecular Formula C9H17NS
Molecular Weight 171.30300
Flash Point 184ºC
Exact Mass 171.10800
PSA 49.09000
LogP 3.56118
Vapour Pressure 0.0222mmHg at 25°C
Index of Refraction 1.472

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XL1650000
CHEMICAL NAME :
Thiocyanic acid, octyl ester
CAS REGISTRY NUMBER :
19942-78-0
BEILSTEIN REFERENCE NO. :
1755531
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C9-H17-N-S
MOLECULAR WEIGHT :
171.33
WISWESSER LINE NOTATION :
NCS8

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1368 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2280 mg/kg
TOXIC EFFECTS :
Brain and Coverings - changes in circulation (hemorrhage, thrombosis, etc.) Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5016 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
133 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,95,1972
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
730 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
264 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5472 mg/kg/2W-I
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 18,310,1936

 Synthetic Route

 Synonyms

1-thiocyanatooctane
EINECS 243-436-9
octylthiocyanate
THIOCYANIC ACID,OCTYL ESTER
octylsulfanyl cyanate
n-Octyl thiocyanate
Octyl rhodanate
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