Acetic acid,2-thiocyanato-, ethyl ester

Modify Date: 2024-01-10 16:43:03

Acetic acid,2-thiocyanato-, ethyl ester Structure
Acetic acid,2-thiocyanato-, ethyl ester structure
Common Name Acetic acid,2-thiocyanato-, ethyl ester
CAS Number 5349-28-0 Molecular Weight 145.18000
Density 1.19g/cm3 Boiling Point 224.1ºC at 760mmHg
Molecular Formula C5H7NO2S Melting Point N/A
MSDS N/A Flash Point 89.4ºC

 Names

Name ethyl 2-thiocyanatoacetate
Synonym More Synonyms

 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

~97%

Acetic acid,2-thiocyanato-, ethyl ester Structure

Acetic acid,2-t...

CAS#:5349-28-0

Literature: Chen, Li; Chen, Shaoqing; Michoud, Christophe Patent: US2006/63804 A1, 2006 ; Location in patent: Page/Page column 14 ; US 20060063804 A1

~99%

Acetic acid,2-thiocyanato-, ethyl ester Structure

Acetic acid,2-t...

CAS#:5349-28-0

Literature: Li, Jing; Cao, Jing-Jing; Wei, Jun-Fa; Shi, Xian-Ying; Zhang, Li-Hui; Feng, Jin-Juan; Chen, Zhan-Guo European Journal of Organic Chemistry, 2011 , # 2 p. 229 - 233

~79%

Acetic acid,2-thiocyanato-, ethyl ester Structure

Acetic acid,2-t...

CAS#:5349-28-0

Literature: Kakehi, Akikazu; Ito, Suketaka; Hashimoto, Yasunobu Bulletin of the Chemical Society of Japan, 1996 , vol. 69, # 6 p. 1769 - 1776

~74%

Acetic acid,2-thiocyanato-, ethyl ester Structure

Acetic acid,2-t...

CAS#:5349-28-0

Literature: Yamamoto, Yutaka; Morita, Yasuo Chemical & Pharmaceutical Bulletin, 1984 , vol. 32, # 8 p. 2957 - 2962

~%

Acetic acid,2-thiocyanato-, ethyl ester Structure

Acetic acid,2-t...

CAS#:5349-28-0

Literature: Farbw.Hoechst. Patent: DE836646 , 1951 ; DRP/DRBP Org.Chem.

~%

Acetic acid,2-thiocyanato-, ethyl ester Structure

Acetic acid,2-t...

CAS#:5349-28-0

Literature: Holmberg Chemische Berichte, 1914 , vol. 47, p. 162

~%

Acetic acid,2-thiocyanato-, ethyl ester Structure

Acetic acid,2-t...

CAS#:5349-28-0

Literature: Heintz Justus Liebigs Annalen der Chemie, 1865 , vol. 136, p. 223

~%

Acetic acid,2-thiocyanato-, ethyl ester Structure

Acetic acid,2-t...

CAS#:5349-28-0

Literature: Holmberg Chemische Berichte, 1914 , vol. 47, p. 162

 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%

 Synonyms

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