Ethacrynic acid

Names

[ CAS No. ]:
58-54-8

[ Name ]:
Ethacrynic acid

[Synonym ]:
MFCD00056693
Ethacrynic Acid
2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid
EINECS 200-384-1

Chemical & Physical Properties

[ Density]:
1.35g/cm3

[ Boiling Point ]:
480ºC at 760mmHg

[ Melting Point ]:
125 °C

[ Molecular Formula ]:
C₁₃H₁₂Cl₂O₄

[ Molecular Weight ]:
303.13800

[ Flash Point ]:
244.1ºC

[ Exact Mass ]:
302.01100

[ PSA ]:
63.60000

[ LogP ]:
3.60570

[ Storage condition ]:
-20?C Freezer

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AG6600000

CHEMICAL NAME :: Acetic acid, (2,3-dichloro-4-(2-methylenebutyryl)phenoxy)-

CAS REGISTRY NUMBER :: 58-54-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 15

MOLECULAR FORMULA :: C13-H12-Cl2-O4

MOLECULAR WEIGHT :: 303.15

WISWESSER LINE NOTATION :: QV1OR BG CG DVY2&U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 4 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Ear) - change in acuity

REFERENCE :: AIMDAP Archives of Internal Medicine. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1908- Volume(issue)/page/year: 117,715,1966

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - man

DOSE/DURATION :: 3 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Ear) - change in acuity Kidney, Ureter, Bladder - urine volume increased

REFERENCE :: AIMDAP Archives of Internal Medicine. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1908- Volume(issue)/page/year: 117,715,1966

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 3 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Ear) - tinnitus

REFERENCE :: AIMDAP Archives of Internal Medicine. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1- 1908- Volume(issue)/page/year: 117,715,1966

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 21,775,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 43 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,411,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 21,775,1979

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 160 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,411,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 189 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,411,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 176 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 23,438,1964

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 600 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0016635

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 449 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,411,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 78300 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,411,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 469 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,411,1968

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 14800 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 2,411,1968 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3792 No. of Facilities: 150 (estimated) No. of Industries: 2 No. of Occupations: 11 No. of Employees: 14149 (estimated) No. of Female Employees: 10194 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P301 + P312 + P330-P305 + P351 + P338

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
AG6600000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Formaldehyde
Acetic acid, [2,3-dichloro-4-(1-oxobutyl)phenoxy]-, ethyl ester
2,3-dichloro-4-(2-methylenebutyryl)-phenol
1-(2,3-dichloro-4-hydroxyphenyl)butan-1-one
2,3-Dichlorophenol

DownStream

[(6,7-Dichloro-2-ethyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]acetic acid
4-BUTYRYL-2,3-DICHLOROPHENOXYACETICACID
2-[2,3-dichloro-4-(2-methylbutanoyl)phenoxy]acetic acid

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Ethacrynic acid
Ethacrynic acid-d5
Ethacrynic acid D5
Ethacrynic acid sodium
Ethacrynic Acid Impurity B
ethacrynic acid methyl ester
tert-Butyl 6-iodospiro[chroman-2,4'-piperidine]-1'-carboxylate
(S)-1-(tert-Butylsulfinyl)-2-methylpropane
3-Cbz-Amino-2-cyclopentyl-propionic acid
tert-Butyl 4-(3-(((benzyloxy)carbonyl)amino)-2-hydroxypropyl)piperazine-1-carboxylate
(4-{[(Pyrazin-2-yl)amino]methyl}phenyl)methanol
Exo-benzyl 3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
Benzyl 5-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxylate
Benzyl ((S)-1-(4-fluorophenyl)-2-((S)-3-hydroxypyrrolidin-1-yl)ethyl)(methyl)carbamate
1,1-Dimethylethyl 7-(3-amino-4-pyridinyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
1,1-Dimethylethyl 4-[5-[[(2-bromo-4-thiazolyl)carbonyl]amino]-2-methyl-4-pyridinyl]-1-piperazinecarboxylate

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