tert-Butyl hydroperoxide 叔丁基过氧化氢 70%的水溶液

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 2-Methyl-prop-2-yl-hydroperoxide TERT-BUTYL HYDROPEROXIDE {Chem Butylhydroperoxid TBHP 1,1-Dimethylethylhydroperoxid Perbutyl H 1,1-dimethylethyl-Hydroperoxide 叔丁过氧化氢 Kayabutyl H 1,1-二甲基乙基-过氧化氢 氢过氧化叔丁基 terc. Butylhydroperoxid 过氧化氢叔丁基[含量≤80%,带有氢过氧化二叔丁基和/或A型稀释剂] T-HYDRO(R) tert-Butyl hydrogen peroxide 2-Hydroperoxy-2-methylpropane { 叔丁基过氧化氢 溶液 过氧化叔丁醇、过氧化氢第三丁基 1,1-二甲基乙基过氧化氢 tert-Butylhydroperoxide Aztec t-butyl Hydroperoxide-70, Aq 过氧化氢特丁基 1,1-Dimethylethyl hydroperoxide 2-Hydroperoxy-2-methylpropane TBHP 叔丁基过氧化氢 溶液 Perbutyl H 69T Hydroperoxide, tert-butyl 过氧化叔丁醇,叔丁基过氧化氢 tert-Butanol peroxide Perbutyl H 80 tert-butyl hydroperoxide 过氧化氢叔丁醇(TBHP) Trigonox A-W70 1,1-dimethylethyl-hydroperoxid Dime 叔丁基过氧化氢, 70% aq. soln. tert-Butyl hydroperoxide(content≤80%,with di-tert-butyl hydroperoxide and/or type A thinner)tert-Butyl hydrogen peroxide 过氧化叔丁醇/叔丁基过氧化氢 过氧化叔丁醇 过氧化特丁醇 1,1-Dimethylethyl hydroperoxide 2-Hydroperoxy-2-methylpropane TBHP Luperox® TBH70X, 叔丁基过氧化氢 溶液 Hydroperoxide, 1,1-dimethylethyl Butyl Hydroperoxide (Tertiary) 叔丁基过氧化氢;过氧化叔丁醇;TBHP Perbutyl H 69 叔丁基过氧化氢 1,1-Dimethylethyl hydroperoxide butylhydroperoxi Cadox TBH Tri Hydroperoxide, tert-butyl 1,1-dimethylethylhydroperoxide {JNK}
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叔丁基过氧化氢 70%的水溶液
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
  • 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
  • H302 Harmful if swallowed 吞食有害
  • H311+H331
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H242 Heating may cause a fire 加热可能会引起火灾
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
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
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P220 Keep/Store away from clothing/…/combustible materials. 保持远离/贮存远离服装/....../可燃材料。
  • 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。
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P301+P330+P331+P310
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P310
  • 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。
  • P304+
  • P303+P361+P353
  • P304+P340+P310
  • P331 Do NOT induce vomiting.. 不要催吐。
  • P403+P233
  • P305+P351+P338+P310
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
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

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