CAS 19942-78-0|Thiocyanic acid, octylester

Introduction:Basic information about CAS 19942-78-0|Thiocyanic acid, octylester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameThiocyanic acid, octylester
CAS Number19942-78-0Molecular Weight171.30300
Density0.8625Boiling Point170ºC
Molecular FormulaC9H17NSMelting Point21ºC
MSDS/Flash Point184ºC

Names

Nameoctyl thiocyanate
SynonymMore Synonyms

Chemical & Physical Properties

Density0.8625
Boiling Point170ºC
Melting Point21ºC
Molecular FormulaC9H17NS
Molecular Weight171.30300
Flash Point184ºC
Exact Mass171.10800
PSA49.09000
LogP3.56118
Vapour Pressure0.0222mmHg at 25°C
Index of Refraction1.472
InChIKeyFGVYCHQRRXDRAR-UHFFFAOYSA-N
SMILESCCCCCCCCSC#N

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

Synonyms

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