Butyl thiocyanate

Modify Date: 2025-09-26 18:28:15

Butyl thiocyanate Structure
Butyl thiocyanate structure
Common Name Butyl thiocyanate
CAS Number 628-83-1 Molecular Weight 115.19700
Density 0.961 Boiling Point 183.7ºC at 760 mmHg
Molecular Formula C5H9NS Melting Point -59ºC
MSDS N/A Flash Point 64.9ºC

 Names

Name Butyl thiocyanate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.961
Boiling Point 183.7ºC at 760 mmHg
Melting Point -59ºC
Molecular Formula C5H9NS
Molecular Weight 115.19700
Flash Point 64.9ºC
Exact Mass 115.04600
PSA 49.09000
LogP 2.00078
Index of Refraction 1.46 (20ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK8500000
CHEMICAL NAME :
Thiocyanic acid, butyl ester
CAS REGISTRY NUMBER :
628-83-1
BEILSTEIN REFERENCE NO. :
1098562
LAST UPDATED :
199712
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C5-H9-N-S
MOLECULAR WEIGHT :
115.21
WISWESSER LINE NOTATION :
NCS4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
238 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea 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 :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2385 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
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 :
66780 ug/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 :
13 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 :
124 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 :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea Blood - normocytic anemia Blood - leukopenia
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 150,257,1930 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
973 mg/kg/2W-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Cardiac - other changes Related to Chronic Data - death
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

 Safety Information

Risk Phrases R22;R32;R36
Safety Phrases S26-S36/37/39
RIDADR UN 2810

 Synthetic Route

 Synonyms

1-thiocyanatobutane
THIOCYANIC ACID,BUTYL ESTER
n-butylthiocyanate
Butyrhodanid
MFCD00039476
butylthiocarbonitrile
Thiocyansaeure-butylester
n-Butyl rhodanate
1-Thiocyanobutane
Butylthiocyanat
EINECS 211-056-2
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