CAS 54-64-8|Thiomersal
Introduction：Basic information about CAS 54-64-8|Thiomersal, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Thiomersal | ||
|---|---|---|---|
| CAS Number | 54-64-8 | Molecular Weight | 404.811 |
| Density | / | Boiling Point | 298.6ºC at 760mmHg |
| Molecular Formula | C9H9HgNaO2S | Melting Point | 234-237 °C (dec.)(lit.) |
| MSDS | ChineseUSA | Flash Point | 250 °C |
| Symbol | GHS06, GHS08, GHS09 | Signal Word | Danger |
Names
| Name | thimerosal |
|---|---|
| Synonym | More Synonyms |
Thiomersal BiologicalActivity
| Description | Thimerosal, a mercury-containing vaccine preservative, is a suspected factor in the etiology of neurodevelopmental disorders. |
|---|---|
| Related Catalog | Research Areas >>Neurological Disease |
| 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. |
Chemical & Physical Properties
| 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 |
| InChIKey | RTKIYNMVFMVABJ-UHFFFAOYSA-L |
| SMILES | CC[Hg]Sc1ccccc1C(=O)[O-].[Na+] |
| 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) |
Toxicological Information
CHEMICAL IDENTIFICATION |
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)
- 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)
Safety Information
| Symbol | 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 |
Customs
| HS Code | 29310095 |
|---|
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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 |
