Tert-Butyl hydroperoxide 过氧化氢叔丁醇(TBHP)

CAS 75-91-2 MFCD00002130

化学结构图

75-91-2
SMILES: CC(C)(C)OO

化学属性

Mol. FormulaC4H10O2
Mol. Weight90.12
Refractive indexn20/D 1.400
Density0.82 g/mL at 20 °C
Boiling Point89°C(lit.)
Flash Point43°C(lit.)
TSCAYes
Melting Point-3
SolubilitySoluble in water (130 - 150 mg/ml at 20 °C), ethanol, ethyl ether, carbon tetrachloride, and esters.
Stability对热、光线敏感

别名和识别编码

Chemical NameTert-Butyl hydroperoxide
Synonym 1,1-Dimethylethyl hydroperoxide 1,1-Dimethylethyl hydroperoxide 2-Hydroperoxy-2-methylpropane TBHP 1,1-Dimethylethyl hydroperoxide 2-Hydroperoxy-2-methylpropane TBHP 叔丁基过氧化氢 溶液 1,1-Dimethylethylhydroperoxid 1,1-dimethylethyl-Hydroperoxide 1,1-dimethylethyl-hydroperoxid 1,1-dimethylethylhydroperoxide 1,1-二甲基乙基-过氧化氢 1,1-二甲基乙基过氧化氢 2-Hydroperoxy-2-methylpropane 2-Methyl-prop-2-yl-hydroperoxide tert-Butyl hydrogen peroxide tert-Butylhydroperoxide tert-butyl hydroperoxide Aztec t-butyl Hydroperoxide-70, Aq Butyl Hydroperoxide (Tertiary) Butylhydroperoxid Cadox TBH Dime Hydrop Hydroperoxide, 1,1-dimethylethyl Hydroperoxide, tert-butyl
CAS Number75-91-2
PubChem Substance ID6410
Beilstein Registry Number1(4)1616
MDL NumberMFCD00002130
EC Number200-915-7
Reaxys-RN1098280
Merck Number1570
Chemical Name Translation过氧化氢叔丁醇(TBHP)
Wiswesser Line NotationQOX1&1&1
LabNetwork Molecule IDLN00195452
InChIInChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3
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分类

  • {SNA} Chemical Synthesis, Free Radical Initiators, Organic Peroxides, Oxidizing Agents, Peroxides, Polymer Science, Polymerization Initiators, Reagents for Polymerization, Synthetic Reagents, 材料科学
  • {SNA} Chemical Synthesis, Oxidizing Agents, Peroxides, Synthetic Reagents
  • {uni_hamburg} no charge; peroxide; 1fragment
  • {SNA} Chemical Synthesis, Free Radical Initiators, Materials Science, Organic Peroxides, Oxidizing Agents, Peroxides, Polymer Science, Polymerization Initiators, Reagents for Polymerization, Synthetic Reagents
  • Chemical Synthesis, Free Radical Initiators,

产品应用

  • Usually used in Iron-Catalyzed Efficient Synthesis of Amides from Aldehydes and Amine Hydrochloride Salts.

相关文献及参考

  • Merck: 14,1570 Beilstein:1(4)1616
  • Short: III/35E
  • In the presence of Ti(O-i-Pr)4 and (+)- or (-)-dialkyl tartrate, allylic alcohols undergo the Sharpless enantioselective epoxidation: J. Am. Chem. Soc., 102, 5974 (1980). The chirality of the major product is predictable and >;95% ee is common:
  • In the presence of MoO2(acac)2, silyl enol ethers are cleaved in high yield, as an alternative to ozonolysis: Tetrahedron Lett., 22, 2595 (1981).
  • In the presence of Dichlorotris(triphenyl­phosphine)­ruthenium(II)­, L00373, secondary amines are dehydrogenated to imines: J. Chem. Soc., Chem. Commun., 613 (1985), and aryl or alkenyl cyanohydrins to acyl cyanides: Tetrahedron Lett., 26, 925 (1985).
  • Short: III/38B
  • Widely used in combination with various metal catalysts (Mo, Cr, V, W, Ti, etc.) for the epoxidation of alkenes. For a review of metal-catalyzed epoxidations, see: Chem. Rev., 89, 431 (1989).
  • In combination with Mo(CO)6 or Cr(CO)6, oxidizes alkenes at allylic positions to give ɑß-unsaturated ketones: J. Chem. Soc., Perkin 1, 267 (1985); Tetrahedron Lett., 25, 1235 (1984). Terminal alkynes are converted to methyl ketones in high yield in the presence of catalytic quantities of Pd(OAc)2: J. Org. Chem., 45, 5387 (1980).
  • Merck: 14,1570
  • For reviews, see: Pure Appl. Chem., 55, 589 (1983); Synthesis, 89 (1986); Org. React., 48, 1 (1996). For an example, see: Org. Synth. Coll., 7, 461 (1990).
  • The anhydrous reagent can be prepared, e.g. in dilute toluene solution by azeotropic drying: method and safe handling procedure: J. Org. Chem., 48, 3607 (1983). See also: Chem. Ber., 113, 3662 (1980).

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H242 Heating may cause a fire 加热可能会引起火灾
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H311+H331
  • H312 Harmful in contact with skin 皮肤接触有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • H330 Fatal if inhaled 吸入致命
  • H331 Toxic if inhaled 吸入中毒
  • H332 Harmful if inhaled 吸入有害
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes O,T,N
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P203
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P220 Keep/Store away from clothing/…/combustible materials. 保持远离/贮存远离服装/....../可燃材料。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P234 Keep only in original container. 只保留在原来的容器中。
  • P235 Keep cool. 保持凉爽。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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。
  • 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。
  • P264+P265
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P301+P312
  • P301+P316
  • P301+P317
  • P301+P330+P331
  • P301+P330+P331+P310
  • P302+P352
  • P302+P361+P354
  • P303+P361+P353
  • P304+
  • P304+P312
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P307+P311
  • P308+P313
  • P308+P316
  • P309+P311
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • P316
  • P317
  • P318
  • P319
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P331 Do NOT induce vomiting.. 不要催吐。
  • P333+P313
Signal word Danger
Safety Statements
  • 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；
  • 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）；
  • S3/7 Keep container tightly closed in a cool place 将容器严格密闭保存在阴凉处；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S14 Keep away from ... (incompatible materials to be indicated by the manufacturer) 远离（生产厂家指定的不相容物质）保存；
  • S17 Keep away from combustible material 远离可燃物料；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S4 Keep away from living quarters 远离生活区；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S24 Avoid contact with skin 避免皮肤接触；
  • S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐：立即求医并出示该容器或标签；
Risk Statements
  • R10 Flammable 易燃
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R23 Toxic by inhalation 吸入有毒
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R34 Causes burns 会导致灼伤
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R7 May cause fire 会导致起火
  • R51/53
  • 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
  • R52/53
  • R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
RTECSEQ4900000
Storage condition 0-10 2-8°C 储存温度2-8℃ 0-10°C 2-8°C储存
UN Number UN3109 3109
Packing GroupII
Hazard Class5.2/8
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 370 mg/kg
TOXIC EFFECTS :
   Behavioral - irritability
   Gastrointestinal - alteration in gastric secretion
   Blood - hemorrhage
REFERENCE :
   TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv.
   Toxicology of New Industrial Chemical Substances.  For English translation,
   see TNICS*.  (Izdatel'stvo Meditsina, Moscow, USSR)  No.1-    1961-
   Volume(issue)/page/year: 15,90,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 790 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BSPII* SPI Bulletin.  (Soc. of the Plastics Industry, 250 Park Ave., New
   York, NY 10017)  Volume(issue)/page/year: 1/75-19B

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 87 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Behavioral - ataxia
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akro

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Behavioral - irritability
   Gastrointestinal - alteration in gastric secretion
   Blood - hemorrhage
REFERENCE :
   TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv.
   Toxicology of New Industrial Chemical Substances.  For English translation,
   see TNICS*.  (Izdatel'stvo Meditsina, Moscow, USSR)  No.1-    1961-
   Volume(issue)/page/year: 15,90,1979

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 500 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 213,243,1989

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Inhalation
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 500 mmol/L
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: 40,1037,1954

TYPE OF TEST            : Dominant lethal test
ROUTE OF EXPOSURE       : Inhalation
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 17 mg/m3/10W
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 22(2),53,1978

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 11 mmol/L
REFERENCE :
   EVHPAZ EHP, Environmental Health Perspectives.  (U.S. Government Printing
   Office, Supt of Documents, Washington, DC 20402)  No.1-    1972-
   Volume(issue)/page/year: 88,111,1990

TYPE OF TEST            :

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 17 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5(Suppl
   1),3,1983

TYPE OF

Restrict 危险品

其他信息

  • 类别:氧化剂
  • 用途二:用作聚合反应的催化剂。取代基反应中用作过氧化基团的引入剂。为一级有机氧化剂(高温时易爆炸)。
  • 方法三:叔丁醇与硫酸反应生成硫酸氢叔丁酯，再与过氧化氢反应而得。将叔丁醇加入反应锅，搅拌下于35℃加入过氧化氢，然后升温至50℃，滴加70%硫酸，加完后反应5h，温度保持在55-60℃，静置分层，取上部油层用无水硫酸钠干燥，过滤，得叔丁基过氧化氢。
  • 毒性分级:中毒
  • 方法二:将对硝基苯胺邻磺酸重氮化后，与γ酸偶合，而后将偶合物中的硝基还原成氨基，再与光气缩合，最后经盐析、过滤及干燥而制得。原料消耗（kg/t）对硝基苯胺邻磺酸 555γ酸 490光气 510
  • 储运特性:库房通风低温; 轻装轻卸; 与有机物、还原剂、硫、磷易燃物分开存放
  • 方法一:叔丁醇与硫酸反应生成硫酸氢叔丁酯，再与过氧化氢反应而得：(CH 3 ) 3 COH(H 2 SO 4 ,H 2 O 2 )→(CH 3 ) 3 COOH
  • {Chemica
  • 用途一:用作不饱和三聚氰胺树脂涂料的干燥剂、聚合引发剂、有机合成中间体
  • 用途五:用作聚合反应的催化剂、自由基反应的引发剂。TBHP同时也广泛地应用于苯乙烯，丙烯酸和甲基丙烯酸的聚合引发剂。TBHP是天然橡胶的硫化剂。可用以改善柴油的十六烷值。同时它也是一种十分重要的有机合成中间体，它对环氧化有特殊的选择性和高收率，是一种十分重要的氧化剂。取代基反应中用作过氧化基团的引入剂。
  • 检测方法:T
  • 图谱信息:叔丁基过氧化氢(75-91-2)红外图谱(IR1) 叔丁基过氧化氢(75-91-2)质谱(MS)
  • Acros Organics:过氧化叔丁醇/叔丁基过氧化氢 tert-Butylhydroperoxide,70%solutioninwater(75-91-2)
  • Sigma Aldrich:75-91-2(sigmaaldrich)
  • 急性毒性:口服- 大鼠 LD50: 406 毫克/ 公斤; 口服- 小鼠 LD50: 710 毫克/ 公斤
  • 可燃性危险特性:遇热, 明火, 还原剂易燃; 燃烧产生刺激烟雾
  • Alfa Aesar:过氧化叔丁醇,70%aq.soln. tert-Butyl hydroperoxide, 70% aq. soln.(75-91-2)
  • 外观性质:水白色液体。一般商品为非挥发性溶剂的溶液。
  • 用途四:用于棉、粘胶
  • F:3-21
  • 叔丁基过氧化氢价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80025727 过氧化氢叔丁基（*） 250ml 74.9元 2011/04/16 B3153 叔丁基过氧化氢(70%的水溶液) tert-Butyl Hydroperoxide (70% in Water) 100G 275元 2010/06/21 180340050 叔丁基过氧化氢 tert-Butyl hydroperoxide , 70% solution in water 5 GR 108元
  • 能与乙醇；乙醚等有机溶剂混溶。在75℃以下稳定，在95-100℃失去氧，250℃时则爆炸。
  • MSDS 信息:过氧化叔丁醇(75-91-2).msds
  • 职业标准:STEL 5 毫克/ 立方米
  • TCI Shanghai:叔丁基过氧化氢(70%的水溶液) tert-Butyl Hydroperoxide (70% in Water)(75-91-2)
  • 上游原料:过氧化
  • 用途三:用作聚合反应的催化剂。取代基反应中用作过氧化基
  • MOL 文件:75-91-2.mol
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时; 眼睛- 兔子 100 毫克/ 24

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Oxidation - Synthetic Reagents
  4. Perchlorates - Oxidation
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Oxidation - Synthetic Reagents
  4. Peroxides - Oxidation
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  1. Materials Science 材料科学
  2. Products for Polymer Science Research
  3. Polymerization Initiators - Polymer Science
  4. Free Radical Initiators and Materials for Controlled Radical Polymerization
  5. Organic Peroxides - Free Radical Initiators
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Aromatic alcohols 芳香醇
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Aromatic alcohols 芳香醇
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Aromatic alcohols 芳香醇
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Aromatic alcohols 芳香醇
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Polymerization Initiators
  4. Free Radical Initiators
  5. Inorganic Peroxides
  1. Functional Group 官能团索引
  2. hydroperoxide