CAS 121-54-0|benzethonium chloride
Introduction：Basic information about CAS 121-54-0|benzethonium chloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | benzethonium chloride | ||
|---|---|---|---|
| CAS Number | 121-54-0 | Molecular Weight | 448.081 |
| Density | 0.998 g/mL at 20 °C | Boiling Point | / |
| Molecular Formula | C27H42ClNO2 | Melting Point | 162-164 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | / |
| Symbol | GHS05, GHS06, GHS09 | Signal Word | Danger |
Names
| Name | benzethonium chloride |
|---|---|
| Synonym | More Synonyms |
benzethonium chloride BiologicalActivity
| Description | Benzethonium chloride inhibit human recombinant α7 and α4β2 neuronal nicotinic acetylcholine receptors in Xenopus oocytes. |
|---|---|
| Related Catalog | Signaling Pathways >>Neuronal Signaling >>AChEResearch Areas >>Neurological Disease |
Chemical & Physical Properties
| Density | 0.998 g/mL at 20 °C |
|---|---|
| Melting Point | 162-164 °C(lit.) |
| Molecular Formula | C27H42ClNO2 |
| Molecular Weight | 448.081 |
| Exact Mass | 447.290405 |
| PSA | 18.46000 |
| LogP | 6.87440 |
| InChIKey | UREZNYTWGJKWBI-UHFFFAOYSA-M |
| SMILES | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-] |
| Stability | Stability Stable, but hygroscopic. Incompatible with strong oxidizing agents, soap, anionic detergents, nitrates, acids. Light sensitive. |
| Water Solubility | 1-5 g/100 mL at 18 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 :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 368 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 - rat
- DOSE/DURATION :
- 16500 ug/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 119 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 - rat
- DOSE/DURATION :
- 19 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Kidney, Ureter, Bladder - hematuria Blood - changes in cell count (unspecified)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 420 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 :
- 338 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 :
- 7813 ug/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 :
- 30 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 182 gm/kg/2Y-C
- TOXIC EFFECTS :
- Gastrointestinal - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 60 mg/kg/16D-I
- TOXIC EFFECTS :
- Endocrine - changes in thymus weight Skin and Appendages - dermatitis, other (after systemic exposure) Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 203 mg/kg/13W-I
- TOXIC EFFECTS :
- Skin and Appendages - dermatitis, other (after systemic exposure)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 312 mg/kg/1Y-I
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1200 mg/kg/16D-I
- TOXIC EFFECTS :
- Cardiac - changes in heart weight Endocrine - changes in thymus weight Skin and Appendages - dermatitis, other (after systemic exposure)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 101 mg/kg/13W-I
- TOXIC EFFECTS :
- Skin and Appendages - dermatitis, other (after systemic exposure)
- 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 Skin and Appendages - tumors Tumorigenic - tumors at site of application
MUTATION DATA - TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Embryo
- DOSE/DURATION :
- 1 mg/L
- REFERENCE :
- SHIGAZ Shigaku. Ondotology. (Nippon Shika Daigaku Shigakkai, 1-9-20 Fujimi, Chiyodaku, Tokyo 102, Japan) V.38- 1949- Volume(issue)/page/year: 74,1365,1987 *** REVIEWS *** TOXICOLOGY REVIEW JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 4(5),65,1985 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 25830 No. of Facilities: 2975 (estimated) No. of Industries: 15 No. of Occupations: 26 No. of Employees: 26546 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 25830 No. of Facilities: 1657 (estimated) No. of Industries: 11 No. of Occupations: 20 No. of Employees: 26949 (estimated) No. of Female Employees: 18054 (estimated)
- TYPE OF TEST :
- Sister chromatid exchange
- TEST SYSTEM :
- Rodent - hamster Embryo
- DOSE/DURATION :
- 1 mg/L
- REFERENCE :
- SHIGAZ Shigaku. Ondotology. (Nippon Shika Daigaku Shigakkai, 1-9-20 Fujimi, Chiyodaku, Tokyo 102, Japan) V.38- 1949- Volume(issue)/page/year: 74,1365,1987 *** REVIEWS *** TOXICOLOGY REVIEW JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 4(5),65,1985 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 25830 No. of Facilities: 2975 (estimated) No. of Industries: 15 No. of Occupations: 26 No. of Employees: 26546 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 25830 No. of Facilities: 1657 (estimated) No. of Industries: 11 No. of Occupations: 20 No. of Employees: 26949 (estimated) No. of Female Employees: 18054 (estimated)
Safety Information
| Symbol | GHS05, GHS06, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301-H314-H410 |
| Precautionary Statements | P273-P280-P301 + P310-P305 + P351 + P338-P310-P501 |
| 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 | Xn:Harmful |
| Risk Phrases | R22;R36 |
| Safety Phrases | S26-S36/39-S24/25 |
| RIDADR | UN1759 |
| WGK Germany | 2 |
| RTECS | BO7175000 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2942000000 |
Customs
| HS Code | 2942000000 |
|---|
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Synonyms
| SOLAMIN |
| N-Benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride |
| benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride |
| Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride |
| inactisol |
| (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride,Phemerol chloride |
| diapp |
| phemerol Chloride |
| benzetonium chloride |
| N,N-Dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]benzenemethanaminium Chloride |
| N-benzyl-N,N-dimethyl-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanaminium chloride |
| Benzethonium Chloride (500 mg) |
| sanizol |
| Benzethoniumchloride |
| HYAMINE 1622, REAG |
| banagerm |
| benzethonium chloride |
| benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride |
| EINECS 204-479-9 |
| disilyn |
| Hyamine1622 |
| diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride |
| phemithyn |
| MFCD00011742 |
| Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1) |
| (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride |
| Benzyldimethyl[2-[2-(p-1,1,3,3-tetramethylbutylphenoxy)ethoxy]ethyl]ammonium Chloride |
| solamine |
| N-Benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethyl-2-pentanyl)phenoxy]ethoxy}ethanaminium chloride |
| HYAMINE |
| BENZETHONIUM CHLORIDE, EP STANDARD |
