Tert-Butyl Peroxybenzoate 过氧化苯甲酸叔丁酯

CAS 614-45-9 MFCD00008802

化学结构图

614-45-9
SMILES: CC(C)(C)OOC(=O)c1ccccc1

化学属性

Mol. FormulaC6H5COOOC(CH3)3
Mol. Weight194.23
Refractive indexn20/D 1.499(lit.)
Boiling Point75-76
Density1.021
Flash Point93°(199°F)
TSCAYes
Melting Point8°C
Vapor Density6.7 (vs air)
Vapor Pressure3.36 mmHg ( 50 °C)
Solubility不溶

别名和识别编码

Chemical NameTert-Butyl Peroxybenzoate
Synonym tert.-Buty T-BUTYL PEROXYBENZOATE tert-Butyl benzoyl peroxide perbutylz { Perbenzoesäure-tert.-butylester 过氧化苯甲酸第三丁酯 CP 02 {Chemical peroxyb Novox TC 5 Benzoyl tert-butyl peroxide {Chemica PERBENZOIC ACID TERT-BUTYL ESTER Esperox 10 过氧化 Perbenzoate de butyle tertiaire T-BUTYL PERBENZOATE esperox10 Trigonox C {Ch tert< Perbutyl Z t {hazard_c 过氧化苯甲酸叔丁酯 Interox TBPB-HA-M 1 TC 5 (vulcanizer) Lup 过苯甲酸叔丁酯 VAROX TBPB peroxybenzoic acid tert-butyl ester t-Butyl perbenzoate Peroxybenzoic acid, tert-butyl ester {uni CP 02 (catalyst) terc.Butylperbenzoan 过氧化苯甲酸特丁酯 过氧化叔丁 butylperoxybenzoate 叔丁基过氧化苯甲酸酯 叔丁基过苯甲酸酯, 过苯甲酸特丁酯 Peroxybenzoesäure-tert.-butylester {C tert-Butyl perbenzoate {Che {uni_h t-Butyl peroxy benzoate benzoyltert-butylperoxide tert-Butyl peroxy benzoate tert-Butyl perbenzoate TERT-BUTYL PERBENZOATE Peroxybenzoesä Benzenecarboperoxoic acid tert-butyl ester VAROX TBPB-50 Chaloxyd TBPB-HA-M 1 Benzenecarboperoxoic acid, 1,1-dimethylethyl ester Benzolcarboperoxosäure-1,1-dimethylethylester perbenzoatedebutyletertiaire 过氧化叔丁基苯甲酸酯 过 perbenzoatedebutyle 引发剂CP-01 tert-Butyl perbenzoate; TBPB 过氧化叔丁基苯甲
CAS Number614-45-9
PubChem Substance ID11966
EC Number210-382-2
Beilstein Registry Number1342734
MDL NumberMFCD00008802
Chemical Name Translation过氧化苯甲酸叔丁酯
Wiswesser Line Notation1X1&1&OOVR
LabNetwork Molecule IDLN00226654
InChIInChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
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分类

  • {SNA} Building Blocks, C10 to
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Free Radical Initiators, Organic Building Blocks, Organic Peroxides, Polymer Science, Polymerization Initiators, Reagents for Polymerization, 材料科学
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Free Radical Initiators, Materials Science,
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • 该品可作不饱和聚酯树脂加热成型的固化引发剂,以及高压聚乙烯、聚苯乙烯、邻苯二甲酸二烯丙酯(DAP)等各种树脂的聚合催化剂。

相关文献及参考

  • Short: III/35E
  • Promotes Pd-catalyzed oxidative coupling of electron-rich aromatics with electron-deficient alkenes: Tetrahedron, 40, 2699 (1984).
  • Promotes the free-radical addition of bisulfite to vinyltrimethylsilane, in an improved preparation of 2-(TMS)ethanesulfonyl chloride: Org. Synth., 75, 161 (1997).
  • Beilstein: 9,IV,715
  • Short: EINECS
  • In the presence of CuBr, effects dehydrogenation of oxazolines and thioazolines to the aromatized systems: J. Org. Chem., 61, 8207 (1996).
  • For free-radical allylic benzoyloxylation of cyclohexene, promoted by CuBr, and references for preparation of benzoyloxy derivatives of other classes of compound including hydrocarbons, esters, ethers, sulfides, amides, etc., see: Org. Synth. Coll., 5, 70 (1973). The reaction with alkenes is also efficiently promoted by a complex of Cu(OTf)2 with DBN or DBU: Tetrahedron Lett., 37, 8435 (1996). For a review of acyloxylation at carbon, see: Synthesis, 1 (1972).
  • For free-radical allylic benzoyloxylation of cyclohexene, promoted by CuBr, and references for preparation of benzoyloxy derivatives of other class

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H242 Heating may cause a fire 加热可能会引起火灾
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H332 Harmful if inhaled 吸入有害
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H241 Heating may cause a fire or explosion 加热可能会引起火灾或爆炸
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes E;Xi
RTECSSD9450000
Precautionary statements
  • P220 Keep/Store away from clothing/…/combustible materials. 保持远离/贮存远离服装/....../可燃材料。
  • P410 Protect from sunlight. 防止阳光照射。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P420 Store away from other materials. 远离其他材料。
  • 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。
  • P410+P412
  • P305+P351+P338
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P234 Keep only in original container. 只保留在原来的容器中。
  • 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。
  • P411+P235
  • P370+P378
Signal word
UN Number UN3103 UN 3103 5.2
Risk Statements
  • R38 Irritating to skin 刺激皮肤
  • R7 May cause fire 会导致起火
  • R2 Risk of explosion by shock, friction, fire or other sources of ignition 遇到震动、摩擦、火焰或者其它引燃物有爆炸危险
  • R50 Very toxic to aquatic organisms 对水生生物极毒
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
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;
  • S17 Keep away from combustible material 远离可燃物料;
  • S47 Keep at temperature not exceeding ... °C (to be specified by the manufacturer) 保持温度不超过……°C(由生产厂家指定);
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
  • S35 This material and its container must be disposed of in a safe way 该物料及其容器必须以安全方式处置;
  • 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;
  • 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;
  • S7 Keep container tightly closed 保存在严格密闭容器中;
Packing GroupII
Storage condition 储存温度,2-8°C 必须贮存在聚乙烯容器中,温度在10℃-30℃ 2-8°C
Hazard Class5.2
Warnings 危化品目录(2015)
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 311 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Blood - lymphoma, including Hodgkin's disease
REFERENCE :
   RARSAM Radiation Research, Supplement.  (New York, NY)  No.1-7, 1959-67.
   Discontinued.  Volume(issue)/page/year: 3,193,1963

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >57 mg/m3/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 10,55,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1012 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,30,1982

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >57 mg/m3/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 10,55,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 914 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - necrotic changes
REFERENCE :
   TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshche

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 67 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 8(Suppl
   7),1,1986

Restrict 危险品

其他信息

  • 类别:氧化剂
  • 毒性分级:中毒
  • 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
  • 可燃性危险特性:燃烧产生刺激烟雾
  • 用途一:用作高压聚乙烯的引发剂、硅橡胶硫化剂、不饱和聚酯固化剂
  • Sigma Aldrich:614-45-9(sigmaaldrich)
  • 溶于醇、醚、酯和酮,不溶于水,略有芳香气味,室温下稳定
  • 用途二:该品可作不饱和聚酯树脂加热成型的固化引发剂,以及高压聚乙烯、聚苯乙烯、邻苯二甲酸二烯丙酯(DAP)等各种树脂的聚合催化剂。大鼠经口LD50为4160mg/kg,小鼠经口LD50为2500mg/kg。
  • 上游原料:过氧化氢 --> 叔丁醇 --> 苯甲酰氯
  • 职业标准:STEL 1 毫克/ 立方米
  • 海关编码:29163900
  • 下游产品:3-(4-甲基哌嗪-1-基甲基)苯甲酸 --> 3-溴甲基苯甲酸 --> 3-[N,N-二甲基,N-十八烷基]铵基,2-羟基丙磺酸盐
  • 过氧化苯甲酸叔丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 170140010 过氧化苯甲酸叔丁酯 tert-Butyl peroxybenzoate 98% 1 KG 1174元 2010/06/21 170142500 过氧化苯甲酸叔丁酯 tert-Butyl peroxybenzoate 98% 250 GR 414元 2010/06/21 170140050 过氧化苯甲酸叔丁酯 tert-Butyl peroxybenzoate 98% 5 GR 236元
  • 外观性质:无色至微黄色液体, 略有芳香味。
  • MSDS 信息:叔丁基过苯甲酸酯(614-45-9).msds
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 轻度; 眼睛- 兔子 500 毫克/ 24小时 轻度
  • 用途三:该品可作不饱和聚酯树脂加热成型的固化引发剂,以及高压聚乙烯、聚苯乙烯、邻苯二甲酸二烯丙酯(DAP)等各种树脂的聚合催化剂。
  • 蒸气压:3.36 mm Hg ( 50 °C)
  • 爆炸物危险特性:与还原剂、有机物, 硫、磷等混合可爆; 受热、撞击可爆; 加热115°C 以上爆炸
  • 灭火剂:雾状水、干粉、二氧化碳
  • MOL 文件:614-45-9.mol
  • Alfa Aesar:过氧化苯甲酸叔丁酯,98% tert-Butyl peroxybenzoate, 98%(614-45-9)
  • Acros Organics:过氧化苯甲酸叔丁酯 tert-Butyl peroxybenzoate, 98%(614-45-9)
  • 蒸气密度:6.7 (vs air)
  • 急性毒性:口服- 大鼠 LD50: 1012 毫克/ 公斤; 口服- 小鼠 LD50: 914 毫克/ 公斤
  • 方法一:由叔丁醇经叔丁醇硫酸酯再与双氧水反应制得过氧化叔丁基,再与苯甲酰氯反应而得。

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