CAS 75-91-2 MFCD00002130-Tert-Butyl hydroperoxide 过氧化氢叔丁醇(TBHP) TAO{mole}

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

CAS 75-91-2 MFCD00002130

化学结构图

SMILES: CC(C)(C)OO

化学属性

Mol. Formula	C4H10O2
Mol. Weight	90.12
Refractive index	n20/D 1.400
Density	0.82 g/mL at 20 °C
Boiling Point	89°C(lit.)
Flash Point	43°C(lit.)
TSCA	Yes
Melting Point	-3
Solubility	Soluble 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 Name	Tert-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 Number	75-91-2
PubChem Substance ID	6410
Beilstein Registry Number	1(4)1616
MDL Number	MFCD00002130
EC Number	200-915-7
Reaxys-RN	1098280
Merck Number	1570
Chemical Name Translation	过氧化氢叔丁醇(TBHP)
Wiswesser Line Notation	QOX1&1&1
LabNetwork Molecule ID	LN00195452
InChI	InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3

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产品应用

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

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