benzethonium chloride

Modify Date: 2024-01-02 19:22:38

benzethonium chloride Structure
benzethonium chloride structure
Common Name benzethonium chloride
CAS Number 121-54-0 Molecular Weight 448.081
Density 0.998 g/mL at 20 °C Boiling Point N/A
Molecular Formula C27H42ClNO2 Melting Point 162-164 °C(lit.)
MSDS Chinese USA Flash Point N/A
Symbol GHS05 GHS06 GHS09
GHS05, GHS06, GHS09
Signal Word Danger

 Use of benzethonium chloride


Benzethonium chloride inhibit human recombinant α7 and α4β2 neuronal nicotinic acetylcholine receptors in Xenopus oocytes.

 Names

Name benzethonium chloride
Synonym More Synonyms

 benzethonium chloride Biological Activity

Description Benzethonium chloride inhibit human recombinant α7 and α4β2 neuronal nicotinic acetylcholine receptors in Xenopus oocytes.
Related Catalog

 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
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

RTECS NUMBER :
BO7175000
CHEMICAL NAME :
Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phen oxy)ethoxy)ethyl)-, chloride
CAS REGISTRY NUMBER :
121-54-0
LAST UPDATED :
199710
DATA ITEMS CITED :
26
MOLECULAR FORMULA :
C27-H42-N-O2.Cl
MOLECULAR WEIGHT :
448.15
WISWESSER LINE NOTATION :
1X1&1&1X1&1&R DO2O2K1&1&1R &Q &G

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 :
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)

 Safety Information

Symbol GHS05 GHS06 GHS09
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

 Synthetic Route

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benzethonium chloride Structure

benzethonium ch...

CAS#:121-54-0

Literature: US2170111 , ;

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benzethonium chloride Structure

benzethonium ch...

CAS#:121-54-0

Literature: US2170111 , ;

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benzethonium chloride Structure

benzethonium ch...

CAS#:121-54-0

Literature: US2170111 , ;

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benzethonium chloride Structure

benzethonium ch...

CAS#:121-54-0

Literature: Canadian Journal of Chemistry, , vol. 69, # 6 p. 937 - 944

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benzethonium chloride Structure

benzethonium ch...

CAS#:121-54-0

Literature: Canadian Journal of Chemistry, , vol. 69, # 6 p. 937 - 944

 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
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