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分类

• Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
• {uni_hamburg} no charge; ketone; 1fragment
• {SA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
• {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

• Merck 14 ,6134
• Beil. 1 ,IV,3444
• Fieser 1 ,697 / Fieser 2 ,283 / Fieser 5 ,464 / Fieser 6 ,407 / Fieser 7 ,247 / Fieser 10 ,272 / Fieser 12 ,329 / Fieser 13 ,193
• Aldrich MSDS 1 , 1324:A / Corp MSDS 1 (2), 2463:C / FT-IR 2 (1), 650:C / FT-IR 1 (1), 413:D / FT-NMR 1 (1), 643:C / IR-Spectra (2), 220:B / IR-Spectra (3), 246:D / NMR-Reference 2 (1), 377:B / RegBook 1 (1), 453:A / Sax 6 , 552 / Sigma FT-IR 1 (2), 757:C / Structure Index 1 , 64:C:8 / Vapor Phase 3 , 499:C
• Short: II/25C Title: Structure Data Of Free Polyatomic Molecules: Molecules containing Three or Four Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25C Year: 2001 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-66774-1 ISBN: 978-3-540-66774-2 Internet Resource: DOI:10.1007/b71431 RefComment: VIII, 481 pages. Hardcover Abstract: This volume contains data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc.) of free polyatomic molecules including free radicals and molecular ions. This survey on structure data is made of four subvolume, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometim
• For an example of the conjugate addition of aldehydes (Stetter reaction), see: Org. Synth. Coll., 8, 620 (1993); for reaction scheme, see 3-Benzyl-5-(2-hydroxyethyl)-4-methyl­thiazolium chloride, L08750.
• For examples of use as a building block in asymmetric syntheses, see: Org. Synth. Coll., 7, 363 (1990); 9, 610 (1998); for reaction schemes for these, see 2-Methyl­cyclopentane-1,3-dione, A13936, and (S)-(-)-1-Phenyl­ethyl­amine, A12632, respectively.

安全信息

GHS Symbol

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 15 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0555304

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 23100 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 58(10),4,1993

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 15 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0555304

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 8 mg/m3/2H
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

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 250 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 93,305,1982

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 125 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 412,17,1998

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 100 nmol/tube
REFERENCE :
   CRTOEC Chemical Research in Toxicology.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57/36, West End Station, Washington, DC
   20037)  V.1-    1988-  Volume(issue)/page/year: 4,50,1991

其他信息

• MOL 文件:78-94-4.mol
• 方法一:由丙酮与甲醛缩合得到乙酰乙醇，再在草酸存在下脱水而制得甲基乙烯酮。甲醛溶液与丙酮按1:30混合进入管道反应器（温度51-53℃），控制流量，保持反应停留时间3-4min，将反应液移至盛有柠檬-丙酮的反应罐中，回流10min，回收丙酮，蒸尽水分后，加草酸进行脱水，再加少量氢醌，常压蒸馏，得甲基乙烯酮与水的共沸液。用精盐盐析，分层，将有机层加氯化钙脱水，加氢至精馏，收集80-83℃馏分，即为甲基乙烯酮，收率42%。此外，也可采用汞、银、铜等的硫酸盐作催化剂、由乙烯基乙炔经水合而得到甲基乙烯酮。
• 用途二:该品具有很强的反应能力，用作聚合物的单体，制取阴离子树脂、胶片乳化剂；还用作烷基化剂和合成甾族化合物及维生素A等的中间体。
• 下游产品:2,3-丁二酮 --> 4-甲基喹啉 --> 4-喹啉甲醛 --> 3-氨基-5-甲基异唑 --> 茉莉酮 --> 松脂醇 --> 维生素 A --> 4-羟基-2-丁酮 --> 覆盆子酮 --> 3-甲基-1-戊烯-4-炔-3-醇
• 用途一:用作聚合反应单体制取阴离子树脂，还可用作烷基化剂和合成甾族化合物及维生素A的中间体
• MSDS 信息:3-丁烯-2-酮(78-94-4).msds
• 类别:易燃液体
• 职业标准:STEL 0.1 毫克/ 立方米
• Acros Organics:甲基乙烯酮 Methyl vinyl ketone, stabilized ca. 95%(78-94-4)
• F:8-10-19-23
• 毒性分级:剧毒
• Sigma Aldrich:78-94-4(sigmaaldrich)
• 急性毒性:口服- 大鼠 LD50:30 毫克/ 公斤; 口服- 小鼠 LD50: 33 毫克/ 公斤
• 上游原料:甲醛 --> 柠檬 --> 4-羟基-2-丁酮 --> 乙烯基乙炔
• 灭火剂:干粉、干石粉、二氧化碳、泡沫
• 可燃性危险特性:遇明火、高温、氧化剂易燃; 高热放出有毒刺激烟雾
• 储运特性:库房通风低温干燥; 与氧化剂、酸类分开存放
• 外观性质:无色液体。
• Alfa Aesar:甲基乙烯酮,tech.90%,stab.with0.5%hydroquinone Methyl vinyl ketone, tech. 90%, stab. with 0.5% hydroquinone(78-94-4)
• 图谱信息:丁烯酮(78-94-4)核磁图( 1 HNMR) 丁烯酮(78-94-4)红外图谱(IR1) 丁烯酮(78-94-4)核磁图( 13 CNMR) 丁烯酮(78-94-4)质谱(MS)
• 蒸气密度:1.3 (vs air)
• 丁烯酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80666080 甲基乙烯基酮（剧毒） 500ml 1200元 2010/06/21 128000050 丁烯酮 Methyl vinyl ketone ca. 95%, stabilized 5 ML 411元 2010/06/21 128000010 丁烯酮 Methyl vinyl ketone ca. 95%, stabilized 1 LT 2553元
• 蒸气压:310 mm Hg ( 55 °C)