Diethyl sulfate 硫酸二乙酯

CAS 64-67-5 MFCD00009099

化学结构图

64-67-5
SMILES: CCOS(=O)(=O)OCC

化学属性

Mol. FormulaC4H10O4S
Mol. Weight154.18
Density1.177 g/mL at 25 °C(lit.)
Refractive index1.3990 to 1.4020
Flash Point110°C(lit.)
TSCAYes
Boiling Point208°C(lit.)
Melting Point-24 °C(lit.)
Vapor Density5.3 (vs air)
Vapor Pressure<;0.01 mmHg ( 20 °C)
Solubility5 G/L (20 ºC)
Stability对光敏感

别名和识别编码

Chemical NameDiethyl sulfate
Synonym ETHYL SULFATE Diethylsulfate,98% 硫酸乙酯(硫酸二乙酯) 131-01 [6] 硫酸二乙酯 Diethylsulfat Ethylsulpate SULFURIC ACID DIETHYL ESTER sulfuric acid, diethyl ester DES DS diethyltetraoxosulfate DiethylSulphate99.5% sulfuric acid diethyl ester 二乙基硫酸 硫酸乙酯 DiethylSulfate,Certified diethylesterkyselinysirove Schwefelsäurediethylester DIETHYL SULFATE Diaethylsulfat ethyl sulfate Diethyl sulphate Sulfuric acid diethyl ester DIETHYL SULFATE (DRUMS) DIETHYL SULFATE (BULK) Sulphuric acid diethyl ester DiethylSulphateForSynthesis 硫酸乙酯 diethyl sulfate 硫酸二乙酯, 98% Diethylester kyseliny sirove SULPHONICACID,DIETHYLESTER DIETHYL SULPHATE Diethyl tetraoxosulfate Ethyl sulfate 二乙基硫酸 sulfatediethylique Diäthylsulfat diethylsulfate
MDL NumberMFCD00009099
CAS Number64-67-5
EC Number200-589-6
Merck Number3130
Beilstein Registry Number1,327
PubChem Substance ID6163
Reaxys-RN1209714
Chemical Name Translation硫酸二乙酯
Wiswesser Line Notation2OSWO2
LabNetwork Molecule IDLN00244624
InChIInChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
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分类

  • {uni_hamburg} no charge; 1fragment
  • {SNA} Alkyl Transfer, C-X Bond Formation (Non-Halogen), Chemical Synthesis, Synthetic Reagents

产品应用

  • 有机合成。乙基化试剂。乙烯磺化作用的促进剂。

相关文献及参考

  • Esterification of thermally unstable carboxylic acids, e.g. ß-keto acids, can be achieved in high yield in the presence of DBN (1,5-Diazabicyclo[4.3.0]non-5-ene, A13437): Synth. Commun., 6, 89 (1976).
  • Short: II/27B
  • Merck: 14,3130
  • Merck: 14,3130 Beilstein:1,327
  • Short: III/38B
  • Short: II/5

安全信息

RTECSWS7875000
Packing GroupII
UN Number 1594
Risk Statements
  • R46 May cause inheritable genetic damage 可能引起遗传基因损害
  • R45 May cause cancer 可能致癌
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R34 Causes burns 会导致灼伤
Safety Statements
  • 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）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
GHS Symbol
WGK Germany3
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H350 May cause cancer 可能致癌
  • H340 May cause genetic defects 可能导致遗传性缺陷
  • H302+H332
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302+H312+H332
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P305+P351+P338+P310
  • 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。
  • P303+P361+P353+P310+P363
  • P301+P330+P331+P310
  • P303+P361+P353
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P305+P351+P338
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
Signal word
Hazard Codes T
Hazard Class6.1
Storage condition 干燥避光保存。 Refrigerator (+4°C)
Warnings 危化品目录(2015) 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3700 mg/kg/81W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Gastrointestinal - tumors
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           : 800 mg/kg/32W-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       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 85 mg/kg
                          female 15 day(s) after conception
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Reproductive - Tumorigenic effects - transplacental tumorigenesis
   Brain and Coverings - tumors
REFERENCE :
   IARCCD IARC Scientific Publications.  (Geneva, Switzerland)  No.1-26,
   1971-78.  For publisher information, see IAPUDO.  Volume(issue)/page/year:
   4,45,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 350 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            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 31,343,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 600 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 12/30/1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 880 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 31,60,1949

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

TYPE OF TEST            : Micronucleu

TYPE OF TEST            : DNA adduct
TEST SYSTEM             : Rodent - mouse Ascites tumor
DOSE/DURATION           : 5 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 89,95,1981

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 9 gm/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 2,363,1981

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 300 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 205,409,1988

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 30 nmol/tube
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: 79,5971,1982

TYPE OF TEST            : Dominant lethal test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 100 mg/kg/10W (Intermittent)
REFERENCE :
   GNKAA5 Genetika (Moscow).  For English translation, see SOGEBZ.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  No.1-    1965-
   Volume(issue)/page/year: 12(3),163,1976

TYPE OF TEST            : Sex chromosome loss and nondisjunction
RO

TYPE OF TEST            : Host-m

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 340 mg/kg
SEX/DURATION            : female 15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   IARCCD IARC Scientific Publications.  (Geneva, Switzerland)  No.1-26,
   1971-78.  For publisher information, see IAPUDO.  Volume(issue)/page/year:
   4,45,1973

Restrict 危险品

其他信息

  • 储运特性:库房通风低温干燥; 与氧化剂、硝酸、食品添加剂分开存放
  • Alfa Aesar:硫酸二乙酯,98% Diethyl sulfate, 98%(64-67-5)
  • 毒性分级:中毒
  • 下游产品:乙醚 --> 4-乙氧基苯基乙酸乙酯 --> 2-乙氧基苯甲酸 --> 禾草敌 --> N4-苯甲酰基胞嘧啶 --> 二乙二醇乙醚 --> 2-乙基巯基-4-氨基嘧啶-5-羧酸 --> 2-乙巯基-5-羟甲基-6-氨基嘧啶 --> 2-乙硫基-4-氨基嘧啶-5-羧酸乙酯 --> 乙氧基胺盐酸盐 --> 3-乙氧基苯酚 --> N-乙基咔唑 --> 对氯苯乙醚 --> 酸性橙116 --> 茵草敌 --> N,N-二乙基-邻甲基苯胺 --> 曲匹布通 --> 克罗米通 --> 柔软剂 QA --> 2-萘乙醚 --> 2-乙基乙酰乙酸乙酯
  • 用途二:用于酚类的乙氧基化反应
  • 有薄荷香。久贮色变深。能与乙醇和乙醚混溶，几乎不溶于水，水中溶解度:5 G/L (20°C)。在冷水中渐渐分解，在热水中迅速分解成乙醇及硫酸一乙酯，有刺激性，有致癌可能性。
  • 外观性质:无色油状液体，略有醚的气味。
  • 类别:有毒物品
  • 硫酸二乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80049928 硫酸二乙酯;硫酸乙酯 500ml 47.6元 2011/04/16 D0525 硫酸二乙酯 Diethyl Sulfate 25ML 150元 2011/04/16 D0525 硫酸二乙酯 Diethyl Sulfate 500ML 240元
  • Acros Organics:硫酸二乙酯 Diethyl sulfate, 99%(64-67-5)
  • 灭火剂:泡沫、二氧化碳、砂土
  • 用途三:硫酸二乙酯为反应性强的乙基化剂，广泛应用于染料、医药及其他精细化工产品的生产。还用于季铵盐的合成，用作脱水剂、挥发油抽提剂等。
  • 用途四:有机合成。乙基化试剂。乙烯磺化作用的促进剂。
  • 蒸气密度:5.3 (vs air)
  • 蒸气压:<;0.01 mm Hg ( 20 °C)
  • 可燃性危险特性:明火、高热可燃; 高热放出有毒硫氧化物气体; 与水、氧化剂反应
  • Sigma Aldrich:64-67-5(sigmaaldrich)
  • 上游原料:氯磺酸 --> 脱水剂
  • 刺激数据:皮肤- 兔子 10 毫克/ 24小时 重度; 眼- 兔子 2 毫克 重度
  • 职业标准:TWA 0.03 PPM (0.2 毫克/ 立方米)
  • 用途一:用于医药、染料、香料、农药等，也用作乙基化试剂、乙烯磺化促进剂
  • 方法一:有多种生产方法。1.由乙醇与硫酸反应而得。2.由乙醚与氯磺酸作用。3.将硫酸单乙酯加热或在脱水剂存在下蒸馏，可得硫酸二乙酯。4.乙烯与硫酸反应制得硫酸二乙酯。
  • MSDS 信息:硫酸乙酯(64-67-5).msds
  • MOL 文件:64-67-5.mol
  • TCI Shanghai:硫酸二乙酯 Diethyl Sulfate,>;98.0%(GC)(64-67-5)
  • 急性毒性:口服- 大鼠 LD50: 880 毫克/ 公斤; 口服- 小鼠 LD50: 647 毫克/ 公斤
  • 图谱信息:硫酸二乙酯(64-67-5)红外图谱(IR1) 硫酸二乙酯(64-67-5)红外图谱(IR2)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. C-X Bond Formation (Non-Halogen) - Synthetic Reagents
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. C-X Bond Formation (Non-Halogen) - Synthetic Reagents
  4. Alkyl Transfer - C-X Bond Formation (Non-Halogen)
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Others - Sulfur Compounds

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