Acetic acid,2-thiocyanato-, ethyl ester

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Names

[ CAS No. ]:
5349-28-0

[ Name ]:
Acetic acid,2-thiocyanato-, ethyl ester

[Synonym ]:
Rhodanessigsaeure-aethylester
Ethyl thiocyanatoacetate
Thiocyano-essigsaeure-aethyl-ester
Thiocyanato-essigsaeure-aethylester
Ethyl thiocyanoacetate
Thiocyanatoacetic acid ethyl ester
S-Cyan-thioglykolsaeure-aethylester

Chemical & Physical Properties

[ Density]:
1.19g/cm3

[ Boiling Point ]:
224.1ºC at 760mmHg

[ Molecular Formula ]:
C5H7NO2S

[ Molecular Weight ]:
145.18000

[ Flash Point ]:
89.4ºC

[ Exact Mass ]:
145.02000

[ PSA ]:
75.39000

[ LogP ]:
0.76378

[ Index of Refraction ]:
1.547

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ6200000
CHEMICAL NAME :
Acetic acid, thiocyanato-, ethyl ester
CAS REGISTRY NUMBER :
5349-28-0
BEILSTEIN REFERENCE NO. :
1761202
LAST UPDATED :
199712
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C5-H7-N-O2-S
MOLECULAR WEIGHT :
145.19
WISWESSER LINE NOTATION :
NCS1VO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
52 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18300 ug/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
39100 ug/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Lungs, Thorax, or Respiration - respiratory stimulation Lungs, Thorax, or Respiration - other changes
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Bird - pigeon
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 3,99,1954

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Precursor & DownStream

Precursor

  • Potassium thiocyanate
  • ethyl chloroacetate
  • ethyl 2-bromoacetate
  • 6-methyl-2-sulfanylidene-1,3-oxazin-4-one
  • EDA
  • Ethanol
  • Sulfuric acid

DownStream

  • Pyridinium,1-(dicyanomethyl)-, inner salt
  • Ethylsulfanylacetat
  • Benzaldehyde,2-(4,5-dihydro-4-oxo-2-thiazolyl)hydrazone
  • 2,4-Thiazolidinedione
  • Ethyl thiocyanate
  • ethyl 2-bromoacetate
  • Ethyl iodoacetate
  • Pseudothiohydantoin
  • 2-PIPERIDIN-1-YL-1,3-THIAZOL-4(5H)-ONE
  • Rhodanine

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%


Related Compounds

  • Acetic acid,2-thiocyanato-, 4-ethyl-1-(1-methylpropyl)octyl ester
  • Acetic acid,2-thiocyanato-, tetradecyl ester
  • Acetic acid,2-thiocyanato-, nonyl ester
  • Acetic acid 2-(cyclohexyloxy)ethyl ester
  • Acetic acid 2-(ethylnitrosoamino)ethyl ester
  • Acetic acid,2-(heptylthio)-, ethyl ester