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54-64-8

54-64-8 structure
54-64-8 structure
Name thimerosal
Synonyms sodium ethyl[2-(mercapto-kS)benzoato(2-)]mercurate(1-)
Thimersalate
MFCD00013062
Thiomersalate
sodium,(2-carboxylatophenyl)sulfanyl-ethylmercury
Thimerosalate
Merthiolate sodium
Thiomersal
Thimerosal
MERTHIOLATE
sodium salt of (2-carboxyphenylthio)ethylmercury
mercurate(1-), ethyl[2-(mercapto-κS)benzoato(2-)]-, sodium
Mercurate(1-), ethyl[2-(mercapto-κS)benzoato(2-)]-, sodium (1:1)
Sodium ethyl[2-(sulfanyl-κS)benzoato(2-)]mercurate(1-)
sodium ethyl[2-(mercapto-κS)benzoato(2)-κO]mercurate(1)
Thimerosalum
EINECS 200-210-4
Mercurothiolate
Sodium merthiolate
sodium 2-(ethylmercuriothio)benzoate
Natriumethyl[2-(sulfanyl-κS)benzoeato(2-)]mercurate(1-)
Sodium ethylmercurithiosalicylate
Description Thimerosal, a mercury-containing vaccine preservative, is a suspected factor in the etiology of neurodevelopmental disorders.
Related Catalog
In Vivo The Thimerosal (THIM) administration increases μ-opioid receptors (MORs) density in the periaqueductal gray (PAG) in a dose-dependent manner. Treatment with higher doses of Thimerosal statistically significantly increases MOR density in the dorsomedial periaqueductal gray (DMPAG) and lateral periaqueductal gray (LPAG) regions. At the dose 3,000 μg Hg/kg, Thimerosal also augments MOR density in the caudate putamen (CPU). In contrast, the administration of Thimerosal at both higher doses decreases MOR density in the dentate gyrus (DG)[1]. Thimerosal administration (4 injections, i.m., 240 μg Hg/kg on postnatal days 7, 9, 11, 15) induces lasting changes in amino acid overflow: an increase of glutamate and aspartate accompanied by a decrease of glycine and alanine; measured 10 to 14 weeks after the injections. Four injections of Thimerosal at a dose of 12.5 μg Hg/kg do not alter glutamate and aspartate concentrations at microdialysis time. Application of Thimerosal to the prefrontal cortex (PFC) in perfusion fluid evokes a rapid increase of glutamate overflow. Coadministration of the neurosteroid, dehydroepiandrosterone sulfate (DHEAS; 80 mg/kg; i.p.) prevents the Thimerosal effect on glutamate and aspartate; the steroid alone has no influence on these amino acids. Coapplication of dehydroepiandrosterone sulfate (DHEAS) with Thimerosal in perfusion fluid also blocks the acute action of Thimerosal on glutamate[2].
Animal Admin Male rats are used in this study. On the 20th postnatal week, the animals are euthanized by pentobarbital overdosing, and then decapitated. The rats treated with two higher doses of Thimerosal (THIM) (1,440 and 3,000 μg Hg/kg) are from the original litters, which are used for different behavioral and pathological tests, but are experimentally naïve. A separate group of experimentally naïve rats, treated with two lower doses of Thimerosal, 12 and 240 μg Hg/kg (4 litters per each drug-treatment) is sacrificed on the 8th postnatal week according to the same procedure. Each experimental group is composed of 5 animals, with 2 at the most coming from the same litter[1].
References

[1]. Olczak M, et al. Neonatal administration of thimerosal causes persistent changes in mu opioid receptors in the ratbrain. Neurochem Res. 2010 Nov;35(11):1840-7.

[2]. Duszczyk-Budhathoki M, et al. Administration of thimerosal to infant rats increases overflow of glutamate and aspartate in the prefrontal cortex: protective role of dehydroepiandrosterone sulfate. Neurochem Res. 2012 Feb;37(2):436-47.
Boiling Point 298.6ºC at 760mmHg
Melting Point 234-237 °C (dec.)(lit.)
Molecular Formula C9H9HgNaO2S
Molecular Weight 404.811
Flash Point 250 °C
Exact Mass 405.992706
PSA 65.43000
LogP 1.57790
Stability Stable. May degrade in sunlight. Incompatible with strong acids, strong bases, strong oxidizing agents, iodine, heavy metal salts.
Water Solubility 1 G/ML (20 ºC)

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OV8400000
CHEMICAL NAME :
Mercury, ((o-carboxyphenyl)thio)ethyl-, sodium salt
CAS REGISTRY NUMBER :
54-64-8
LAST UPDATED :
199712
DATA ITEMS CITED :
52
MOLECULAR FORMULA :
C9-H9-Hg-O2-S.Na
MOLECULAR WEIGHT :
404.82
WISWESSER LINE NOTATION :
QVR BS-HG-2 &-NA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
83 mg/kg
TOXIC EFFECTS :
Behavioral - coma Lungs, Thorax, or Respiration - other changes Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraaural
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
60 mg/kg/4W-I
TOXIC EFFECTS :
Behavioral - ataxia Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - metabolic acidosis
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
98 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
91 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
54 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
66 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
45 mg/kg
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
104 mg/kg/1Y-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis) Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
104 mg/kg/1Y-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
130 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - abortion
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
1300 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Ocular
DOSE :
112 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Ocular
DOSE :
65 ug/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
Sex chromosome loss and nondisjunction

MUTATION DATA

TYPE OF TEST :
Sex chromosome loss and nondisjunction
TEST SYSTEM :
Rodent - hamster Lung
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 287,29,1993 *** REVIEWS *** ACGIH TLV-TWA 0.1 mg(Hg)/m3 (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.05 mg(Hg)/m3 DTLWS* "Documentation of the Threshold Limit Values for Substances in Workroom Air," Supplements. For publisher information, see 85INA8. Volume(issue)/page/year: 3,22,1973 OSHA PEL (Gen Indu):8H TWA 0.01 mg(Hg)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 0.01 mg(Hg)/m3 (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 0.01 mg(Hg)/m3 (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 0.01 mg(Hg)/m3 (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.05 mg(Hg)/m3;Skin JAN 1993 OEL-BELGIUM:TWA 0.05 mg(Hg)/m3;Skin JAN 1993 OEL-DENMARK:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-FINLAND:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-FRANCE:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-GERMANY:TWA 0.01 ppm (0.1 mg(Hg)/m3) JAN 1993 OEL-HUNGARY:TWA 0.02 mg(Hg)/m3;STEL 0.04 mg(Hg)/m3 JAN 1993 OEL-JAPAN:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 0.05 mg(Hg)/m3;STEL 0.15 mg(Hg)/m3 JAN 1993 OEL-THE PHILIPPINES:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-POLAND:TWA 0.01 mg(Hg)/m3 JAN 1993 OEL-RUSSIA:TWA 0.05 mg(Hg)/m3;STEL 0.01 mg(Hg)/m3 JAN 1993 OEL-SWEDEN:TWA 0.05 mg(Hg)/m3 JAN 1993 OEL-THAILAND:STEL 0.05 mg(Hg)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 0.05 mg(Hg)/m3;STEL 0.15 mg(Hg)/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO MERCURY, ARYL AND INORGANIC-air:CL 0.1 mg/m3 (Sk) REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84569 No. of Facilities: 5617 (estimated) No. of Industries: 83 No. of Occupations: 30 No. of Employees: 242717 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84569 No. of Facilities: 3695 (estimated) No. of Industries: 32 No. of Occupations: 41 No. of Employees: 152997 (estimated) No. of Female Employees: 114190 (estimated)
Symbol GHS06 GHS08 GHS09
GHS06, GHS08, GHS09
Signal Word Danger
Hazard Statements H300 + H310 + H330-H373-H410
Precautionary Statements Missing Phrase - N15.00950417-P260-P262-P280-P302 + P352 + P310-P304 + P340 + P310
Personal Protective Equipment Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes T+:Verytoxic;N:Dangerous for the environment;
Risk Phrases R26/27/28;R33;R50/53
Safety Phrases S13-S28-S36-S45-S60-S61-S28A
RIDADR UN 2025 6.1/PG 3
WGK Germany 3
RTECS OV8400000
Packaging Group III
Hazard Class 6.1(b)
HS Code 29310095
HS Code 29310095

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