CAS 121-54-0 MFCD00011742-Benzethonium chloride 苄索氯铵 TAO{mole}

Benzethonium chloride 苄索氯铵

CAS 121-54-0 MFCD00011742

化学结构图

SMILES: CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-]

化学属性

Mol. Formula	C27H42ClNO2
Mol. Weight	448
Density	0.998 g/mL at 20 °C
Solubility	溶于二甲基亚砜和甲醇。
TSCA	Yes
Melting Point	159-165
Stability	对光和空气敏感,易吸潮

别名和识别编码

Chemical Name	Benzethonium chloride
MDL Number	MFCD00011742
CAS Number	121-54-0
EC Number	204-479-9
Beilstein Registry Number	3898548
Synonym	(2-(2-(4-diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammoniumchloride (DIISOBUTYLPHENOXY-ETHOXYETHYL)DIMETHYLBENZYLAMMONIUM CHLORIDE (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride, Hyamine 1622 2-(2-(p-(diisobutyl)phenoxy)ethoxy)ethyl Antiseptol Hyamine 1622 Hyamine® 1622 N-BENZYL-N,N-DIMETHYL-N-[4-(1.1.3.3-TETRAMETHYLBUTYL)-PHENOXYETHOXYETHYL]AMMONIUM CHLORIDE banagerm {} {} {} {} {Chemi 氯化苄乙氧铵苄基二海明1622 海明1622/苯扎氯铵海胺1622;苄基二甲基[2-[2-[4-(1,1,3,3-四甲基丁基)苯氧基]乙氧基]乙基]氯化铵;氯化苄乙氧胺;氯化苯乙鎓苄基二甲基[2-[2-[4-(1,1,3,3-四甲基丁基)苯氧基]乙氧基]乙基]氯化铵;氯化苄乙氧胺、
PubChem Substance ID	87563255
Reaxys-RN	3898548
Merck Number	1074
Chemical Name Translation	苄索氯铵
Wiswesser Line Notation	1X1&1&1X1&1&R DO2O2K1&1&1R &Q &G
LabNetwork Molecule ID	LN00224214
InChI	InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1

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产品应用

阳离子表面活性剂

安全信息

Signal word Danger

GHS Symbol

WGK Germany2

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护；
S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染；
S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R34 Causes burns 会导致灼伤
R36 Irritating to eyes 刺激眼睛
R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
R50/53

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P273 Avoid release to the environment. 避免释放到环境中。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P301+P310
P301+P312+P330
P302+P352+P332+P313+P362+P364
P305+P351+P338
P305+P351+P338+P337+P313
P332+P313
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P501 Dispose of contents/container to..… 处理内容物/容器.....
P510

Hazard statements

H301 Toxic if swallowed 吞食有毒
H302 Harmful if swallowed 吞食有害
H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。

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 Eyeshields, Gloves

RTECSBO7175000

UN Number 2923 UN1759

Storage condition Hygroscopic 易吸潮室温储存充氩保存

Packing GroupIII

Hazard Codes 8 C,N Xn

Hazard Class8

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
REFERENCE :
   CTOXAO Clinical Toxicology.  (New York, NY)  V.1-18, 1968-81.  For publisher
   information, see JTCTDW.  Volume(issue)/page/year: 4,185,1971

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
REFERENCE :
   PSEBAA Proceedings of the Society for Experimental Biology and Medicine.
   (Academic Press, Inc., 1 E. First St., Duluth, MN 55802)  V.1-    1903/04-
   Volume(issue)/page/year: 120,511,1965

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
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB195-158

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        :

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
REFERENCE :
   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

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)
REFERENCE :
   SCHSAV Soap and

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 1500 ng/well
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 133,161,1984

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

其他信息

储运特性:通风低温干燥; 与库房食品原料分开存放
Alfa Aesar:氯化苯乙,97% Benzethonium chloride, 97%(121-54-0)
苄索氯铵价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 SB887901 苄索氯胺 100g 527元 2011/08/23 30203380 海胺1622 25g 255元 2011/04/16 B0044 苄索氯铵 Benzethonium Chloride 25G 218元
外观:无色或白色吸湿的各种形态固体。
灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
用途二:阳离子表面活性剂
TCI Shanghai:苄索氯铵 Benzethonium Chloride,>;95.0%(LC)(T)(121-54-0)
存储注意事项:光敏感
Sigma Aldrich:121-54-0(sigmaaldrich)
类别:农药
用途一:消毒防腐药。
检测方法:T,NMR
可燃性危险特性:可燃; 燃烧产生有毒氮氧化物,氨和氯化物烟雾
上游原料:氢氧化钠 --> 甲苯 --> 苯 --> 苄基氯 --> 二甲胺 --> 对特辛基苯酚 --> 二氯乙醚 --> 4-丁基苯酚
图谱信息:苄索氯铵(121-54-0)质谱(MS) 苄索氯铵(121-54-0)红外图谱(IR2) 苄索氯铵(121-54-0)红外图谱(IR1)
MSDS 信息:Benzethonium chloride(121-54-0).msds
毒性分级:高毒
方法一:从对（二异丁基）苯酚、二氯二乙醚和二甲胺制得对-（1,1,3,3-四甲基丁基）苯氧基乙氧基乙基二甲胺，再将其与氯化苄在苯中温热2h，蒸发出苯，即得苄索氯铵。
急性毒性:口服-大鼠 LD50: 368 毫克/公斤; 口服-小鼠 LD50: 338 毫克/公斤
Acros Organics:海明1622 Benzethonium chloride, 97%(121-54-0)
海关编码:29239000
溶于水，溶于醇、丙酮和氯仿。
MOL 文件:121-54-0.mol
刺激数据:眼睛-兔子 0.03 毫克重度
F:8