Ethyl 4-Methylbenzenesulfonate 对甲苯磺酸乙酯

CAS 80-40-0 MFCD00009100

化学结构图

80-40-0
SMILES: CCOS(=O)(=O)c1ccc(C)cc1

化学属性

Mol. FormulaC9H12O3S
Mol. Weight200.25
Density1.174
Refractive indexn20/D 1.511(lit.)
Boiling Point306.2°C at 760 mmHg
Melting Point33 °C
Flash Point157.8°C
TSCAYes
Solubility不溶
Appearance 无色单斜结晶。熔点32-33℃,沸点221.3℃,173℃(2.0kPa),165-166℃(1.2kPa),相对密度1.166(46/6℃),折光率1.5110,闪点157℃。溶于乙醇、乙醚、苯,不溶于水。性质不稳定。

别名和识别编码

Chemical NameEthyl 4-Methylbenzenesulfonate
CAS Number80-40-0
Synonym Ethyl 4-methylbenzenesulfonate {LY} Ethyl 4-methylbenzenesulfonate {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 4-methylbenzenesulfonate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number201-276-7
Beilstein Registry Number611213
MDL NumberMFCD00009100
PubChem Substance ID87576247
Reaxys-RN611213
Merck Number3858
Chemical Name Translation对甲苯磺酸乙酯
Wiswesser Line Notation2OSWR D1
LabNetwork Molecule IDLN00225211
Canonical SMILESCCOS(C1=CC=C(C=C1)C)(=O)=O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Tosylates
  • Sulfur & Selenium Compounds
  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • Miscellaneous Reagents

产品应用

  • 乙基化试剂。乙酸纤维韧化剂。 在医药工业中用来生产溴苄铵,还用作感光材料的中间体。该品是乙酸纤维的韧化剂。

相关文献及参考

  • Short: II/27B
  • Short: EINECS
  • Merck: 14,3858 Beilstein:11,99
  • Merck: 14,3858

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • 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;
  • 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);
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
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。
  • 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+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.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xi Xi,Xn
RTECSXT6825000
UN Number UN2811
Storage condition 2-8°C {LY} 2-8°C Moisture Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Packing GroupIII
Hazard Class6.1
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3250 mg/kg/65W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   74,241,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 6,576,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   74,241,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,911,1979

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 500 ug/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 1,323,1980

TYPE OF TEST            : DNA repair
TEST SYSTEM

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 1 pph
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,901,1979

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 4700 ug/plate
REFERENCE :
   PNASA6 Proceedings of the National Academy of Sciences of the United States
   of America.  (National Academy of Sciences, Printing & Pub. Office, 2101
   Constitution Ave., Washington, DC 20418) V.1-    1915-
   Volume(issue)/page/year: 72,5135,1975

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 198,73,1988

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2 mg/plate
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 62,893,1979

TYPE OF TEST            : Sex chro

其他信息

  • MSDS 信息:4-Methylbenzenesulfonic acid ethyl ester(80-40-0).msds
  • Alfa Aesar:对甲苯磺酸乙酯,98% Ethyl p-toluenesulfonate, 98%(80-40-0)
  • F:21
  • Sigma Aldrich:80-40-0(sigmaaldrich)
  • 图谱信息:对甲苯磺酸乙酯(80-40-0)红外图谱(IR1) 对甲苯磺酸乙酯(80-40-0)核磁图( 1 HNMR) 对甲苯磺酸乙酯(80-40-0)质谱(MS) 对甲苯磺酸乙酯(80-40-0)红外图谱(IR2) 对甲苯磺酸乙酯(80-40-0)红外图谱(IR3)
  • 方法一:由对甲苯磺酰氯与乙醇酯化而得。将对甲苯磺酰氯加入无水乙醇中,微热溶解。于10-12℃下开始慢慢滴加氢氧化钠溶液,温度不超过15℃,每隔半小时测定1次pH值,保持9.3-9.7反应4h。加冰水,冷却至0℃,析出结晶。过滤,干燥得对甲苯磺酸乙酯。
  • 用途四:乙基化试剂。乙酸纤维韧化剂。 在医药工业中用来生产溴苄铵,还用作感光材料的中间体。该品是乙酸纤维的韧化剂。
  • TCI Shanghai:对甲苯磺酸乙酯 Ethyl p-Toluenesulfonate,>;98.0%(T)(80-40-0)
  • 对甲苯磺酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30088680 对甲苯磺酸乙酯 100g 340元 2011/04/16 T0268 对甲苯磺酸乙酯 Ethyl p-Toluenesulfonate 25G 164元 2011/04/16 T0268 对甲苯磺酸乙酯 Ethyl p-Toluenesulfonate 500G 840元
  • 上游原料:4-甲苯磺酰氯
  • 用途二:用作乙酸纤维素的韧化剂
  • Acros Organics:对甲苯磺酸乙酯 Ethyl p-toluenesulfonate, 98%(80-40-0)
  • 用途一:用于有机合成,作乙基化试剂和感光材料中间体,也是乙酸纤维素的增韧剂
  • MOL 文件:80-40-0.mol
  • 海关编码:29041000
  • 下游产品:水杨酸乙酯
  • 用途三:用于有机合成作为乙基化剂,在医药工业中用来生产溴苄铵,还用作感光材料的中间体。该品是乙酸纤维的韧化剂。
  • 敏感性:Moisture Sensitive
  • 有吸湿性。性质不稳定。不溶于水,溶于乙醇、乙醚、苯等许多有机溶剂。

系列性分类


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