Styrene Oxide 氧化苯乙烯

CAS 96-09-3 MFCD00005121

化学结构图

96-09-3
SMILES: C1CCC(C2CO2)CC1

化学属性

Mol. FormulaC8H8O
Mol. Weight120
Refractive index1.5340 to 1.5360
Boiling Point194
Density1.054
Melting Point-37
Flash Point77°C(lit.)
TSCAYes
Autoignition Point928 °F
Vapor Density4.14 (vs air)
Vapor Pressure<;1 mmHg ( 20 °C)
Solubility3 G/L (20 ºC)

别名和识别编码

Chemical NameStyrene Oxide
CAS Number96-09-3
Synonym 1,2-Epoxyethylbenzene, Phenylethylene oxide, Phenyloxirane ######## (1,2-Epoxyethyl)benzene (epoxyethyl)-benzen (±)-2-Phenyloxirane (±)-Styrene oxide 1,2-环氧乙基苯, 环氧苯乙烷 1-Phenyloxirane 2-PHENYLOXIRANE Ep Epoxyethylbenzene Epoxystyrene Ethane, 1,2-epoxy-1-phenyl- Fenyloxiran PHENYLETHYLENE OXIDE Phenyl oxirane Phenyloxirane <undefined optical isomer> STYRENE EPOXIDE Styrene 1',2'-oxide Styrene oxide benzene,(1,2-epoxyethyl) ep-182 {} {Chemical {} {} {Chemicalbook} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {Ch α,β-Epoxystyrene 氧化苯乙烯 氧化苯乙
MDL NumberMFCD00005121
Beilstein Registry Number108582
PubChem Substance ID87569334
EC Number202-476-7
Reaxys-RN108582
Chemical Name Translation氧化苯乙烯
Wiswesser Line NotationT3OTJ BR
LabNetwork Molecule IDLN00193192
InChIInChI=1S/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
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分类

  • {SNA} Epoxide Monomers, Monomers, Polymer Science, 材料科学
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Q-Z
  • Heterocycles
  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; alicycle; 3ring; 6ring; ether; racemate; 1fragment
  • {SA} Building Blocks, Chemical Synthesis, Epoxides, Organic Building Blocks, Oxygen Compounds
  • {SNA} Epoxide Monomers, Materials Science,

产品应用

  • 医药中间体。用于β-苯乙醇的中间体。

相关文献及参考

  • Short: III/35D2
  • Aryl substituted epoxides undergo rearrangement in the presence of NaBH4 in benzene to give arylacetaldehydes: Gazz. Chim. Ital., 121, 579 (1991).
  • Beilstein:17,49
  • In the presence of Pd(OAc)2 and Bu3P, a tandem isomerization-aldol condensation occurs: J. Org. Chem., 61, 7565 (1996):
  • Shen, S. et al.: Drug Metab. Disp., 38, 1934 (2010); Carlson, G.P. et al.: J. Toxicol. Env. Health, 73, 1689 (2010)
  • In the presence of excess of a second aldehyde, crossed aldol reactions occur in moderate yield.

安全信息

GHS Symbol
WGK Germany3
Hazard Codes 6.1 T
Hazard statements
  • H350 May cause cancer 可能致癌
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H331 Toxic if inhaled 吸入中毒
  • H312 Harmful in contact with skin 皮肤接触有害
  • H340 May cause genetic defects 可能导致遗传性缺陷
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSCZ9625000
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。
  • 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。
  • 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。
  • 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。
  • 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。
  • P301+P312+P330
  • P302+P350
  • P302+P352+P312+P361+P364
  • P304+P340
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P337+P313
  • P370+P378
  • P403+P233
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
UN Number 2810 UN2810
Risk Statements
  • R20/21 Harmful by inhalation and in contact with skin 吸入及与皮肤接触有害
  • R21 Harmful in contact with skin 与皮肤接触有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R45 May cause cancer 可能致癌
  • R46 May cause inheritable genetic damage 可能引起遗传基因损害
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;
Packing GroupIII
Hazard Class6.1
Storage condition 0-6°C
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 74 gm/kg/62W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   31,41,1963

TYPE OF

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 52 gm/kg/52W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
   Liver - tumors
REFERENCE :
   MELAAD Medicina del Lavoro.  Industrial Medicine.  (Via S. Barnaba, 8, 20122
   Milan, Italy) V.16-    1925-  Volume(issue)/page/year: 70,358,1979

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 77,471,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 96 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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB81-168510

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSE

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 890 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: 7/21/1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 460 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   18,321,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 77,471,1986

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 70 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 192,239,1987

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 20 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 40,317,1

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 25 mg/L
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 8

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Escherichia coli
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: 231,205,1990

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 5 ug/well
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 133,161,1984

TYPE OF TEST            : Sister chromatid exchange
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - hamster
DOSE/DURATION           : 500 mg/kg
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   26,305,1979

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 ppm/7H
SEX/DURATION            : female 1-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - other measures of fertility
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   SWEHDO Scandinavian Journal of Work, Environment and Health. (Haartmaninkatu
   1, SF-00290 Helsinki, 29, Finland)  V.1-    1975- Volume(issue)/page/year:
   9,94,1983

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 100 ppm/7H
SEX/DURATION            : female 1-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   SWEHDO Scandinavian Journal of Work, Environment and Health. (Haartmaninkatu
   1, SF-00290 Helsinki, 29, Finland)  V.1-    1975- Volume(issue)/page/year:
   7(Suppl 4),66,1981

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 15 ppm/7H
SEX/DURATION            : female 1-24 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issu

Warnings 危险化学品

其他信息

  • Acros Organics:氧化苯乙烯 Styrene oxide, 98%(96-09-3)
  • Sigma Aldrich:96-09-3(sigmaaldrich)
  • 常规方法:200kg镀锌铁桶装。贮存于阴凉、干燥、通风的库房内,远离火种、热源,防潮、防晒,密封贮存。按一般化学品规定贮运。
  • 图谱信息:氧化苯乙烯(96-09-3)核磁图( 13 CNMR) 氧化苯乙烯(96-09-3)红外图谱(IR2) 氧化苯乙烯(96-09-3)红外图谱(IR1) 氧化苯乙烯(96-09-3)Raman光谱 氧化苯乙烯(96-09-3)质谱(MS) 氧化苯乙烯(96-09-3)核磁图( 1 HNMR)
  • 下游产品:苯乙醇 --> 苯乙醛
  • TCI Shanghai:1,2-环氧苯乙烷 Styrene Oxide,>;98.0%(GC)(96-09-3)
  • Alfa Aesar:(±)-氧化苯乙烯,98+% (+/-)-Styrene oxide, 98+%(96-09-3)
  • 用途一:用于医药、香料中间体
  • MOL 文件:96-09-3.mol
  • 外观性质:无色至淡黄色液体,有芳香味。
  • 用途二:医药中间体。用于β-苯乙醇的中间体。
  • 溶于水,有芳香气味,,水溶性3g/L(20℃)。
  • 防护措施:参见环氧乙烷(A 125)。
  • 蒸气密度:4.14 (vs air)
  • 海关编码:29109000
  • 氧化苯乙烯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 E0013 氧化苯乙烯 Styrene Oxide 25ML 80元 2014/06/02 E0013 氧化苯乙烯 Styrene Oxide 500ML 445元 2010/06/21 132800025 氧化苯乙烯 Styrene oxide 98% 2.5 LT 1681元
  • 方法一:1.将42g过氧苯甲酸、30g苯乙烯和400ml氯仿混匀,在0℃保持24h。取样检查,应有略过量的过氧苯甲酸存在。用过量的10%氢氧化钠溶液洗涤反应产物除去苯甲酸。然后水洗除碱,经无水硫酸钠干燥,蒸馏收集188-192℃馏分,得氧化苯乙烯24-26g。2.由苯乙烯、溴化钠、硫酸、液体烧碱经卤醇化反应、皂化反应、精馏而得环氧苯乙烷。
  • 蒸气压:<;1 mm Hg ( 20 °C)
  • MSDS 信息:氧化苯乙烯(96-09-3).msds
  • 上游原料:氢氧化钠 --> 硫酸 --> 碳酸钠 --> 三氯甲烷 --> 无水醋酸钠 --> 间氯过氧苯甲酸 --> 苯乙烯 --> 氯酸钠 --> 溴化钠 --> 液体烧碱

系列性分类


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