3-Acetylpyridine 3-乙酰基吡啶

CAS 350-03-8 MFCD00006396

化学结构图

350-03-8
SMILES: CC(=O)c1cccnc1

化学属性

Mol. FormulaC7H7NO
Mol. Weight121.14
Density1.102
Refractive index1.5320 to 1.5360
Boiling Point220.8°C at 760 mmHg
Melting Point11-13°C
Flash Point104°C
TSCAYes
Solubility溶于热水
Appearance 无色至黄色液体。呈花生和坚果似香气,颇似爆玉米花的香气,有甜味。沸点230℃。溶于酸类、乙醇、乙醚和水。

别名和识别编码

Chemical Name3-Acetylpyridine
CAS Number350-03-8
Alfabeta NameACETYLPYRIDINE 3-
MDL NumberMFCD00006396
Synonym 1-(Pyridin-3-yl)ethanone {LY} 1-(Pyridin-3-yl)ethanone {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {} {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {} {} {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {} {} {} {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(Pyridin-3-yl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(Pyr
EC Number206-496-7
Beilstein Registry Number107751
PubChem Substance ID9589
Merck Number14,6116
Chemical Name Translation3-乙酰基吡啶
Reaxys-RN107751
Wiswesser Line NotationT6NJ CV1
LabNetwork Molecule IDLN00174608
InChIInChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3
Canonical SMILESCC(C1=CC=CN=C1)=O
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香料
  • Heterocycles
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} A-B, A-F, Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Alpha Sort,
  • {uni_hamburg} no charge; nitrogen heterocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Building Blocks, C7, Chemical Synthesis, Heterocyclic Building Blocks,

产品应用

  • 利塞膦酸钠中间体。

相关文献及参考

  • Short: III/20a
  • Short: III/38B
  • Merck: 14,6116 Beilstein:21(3/4)3548
  • Short: EINECS
  • Merck: 14,6116
  • Short: IV/16

安全信息

Warnings IRRITANT
Signal word Danger
GHS Symbol
WGK Germany3
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;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • 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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/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);
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Precautionary statements
  • 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。
  • 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+P310
  • P301+P310+P330
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H300 Fatal if swallowed 吞食致命
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSOB5425000
Packing GroupIII
UN Number 2810 UN2810
Hazard Codes 6.1 T T,Xi
Hazard Class6.1
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 46 uL/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Musculoskeletal - other changes
REFERENCE :
   ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
   Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128)  V.1-
   1990-  Volume(issue)/page/year: 1,681,1992

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 178 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 12,355,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - quail
DOSE/DURATION           : 422 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 12,355,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 182 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washingt

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 5000 ppm
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 163,23,1986

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 上游原料:烟酸 --> 乙酸钙
  • 使用限量:FEMA(mg/kg):软饮料2.0;冷饮2.0;糖果3.0;焙烤食品3.0;布丁类2.0;肉类、汤类0.05。
  • MOL 文件:350-03-8.mol
  • MSDS 信息:Methyl 3-pyridyl ketone(350-03-8).msds
  • FEMA:3424
  • Sigma Aldrich:350-03-8(sigmaaldrich)
  • 用途二:香料。主要用于配制爆玉米花、花生、肉类和烟草等型香精。
  • 用途三:利塞膦酸钠中间体。
  • 可燃性危险特性:可燃; 加热分解释放有毒氮氧化物烟雾
  • 下游产品:5-(吡啶-3-基)-1H-吡唑-3-甲酰胺 --> 5-(吡啶-3-基)-1H-吡唑-3-羧酸 --> 3-吡啶乙酸乙酯 --> 5-(吡啶-3-基)-1H-吡唑-3-碳酰肼 --> 5-(吡啶-3-基)-1H-吡唑-3-甲酸乙酯 --> 2-氨基-3-乙酰基吡啶 --> 3-乙酰基-2-氯吡啶 --> 4-(3-吡啶基)-2-氨基嘧啶 --> 3-(2-溴乙酰基)吡啶氢溴酸盐 --> 1-(3-吡啶基)-3-(二甲氨基)-2-丙烯-1-酮
  • 3-乙酰基吡啶价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 LA1424601 3-乙酰吡啶;甲基3-吡啶基酮 25g 431元 2011/08/23 K0144001 3-乙酰吡啶;甲基3-吡啶基酮 10ml 278元 2011/04/16 A0112 3-乙酰吡啶 3-Acetylpyridine 250G 2040元
  • 急性毒性:口服-大鼠 LD50: 46 微升/公斤; 腹腔- 小鼠 LD50: 182 毫克/ 公斤
  • 含量分析:按GT-10-4气相色谱法中用极性柱方法测定。
  • 类别:易燃液体
  • 图谱信息:3-乙酰基吡啶(350-03-8)红外图谱(IR1) 3-乙酰基吡啶(350-03-8)核磁图( 1 HNMR) 3-乙酰基吡啶(350-03-8)质谱(MS) 3-乙酰基吡啶(350-03-8)核磁图( 13 CNMR)
  • 方法一:由尼克酸钙和醋酸钙共同干馏而得。
  • 毒性:GRAS(FEMA)。
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 3-乙酰基吡啶 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 储运特性:库房通风低温干燥
  • 海关编码:29333999
  • 溶于热水和稀酸。除石油醚外,能和有机溶剂混溶。
  • TCI Shanghai:3-乙酰吡啶 3-Acetylpyridine,>;97.0%(GC)(350-03-8)
  • 检测方法:GC,NMR,HPLC
  • 参考质量标准:FCC,1997 含量 ≥98.0% 折射率(n D 20 ) 1.530~1.540 相对密度(d 25 25 ) 1.100~1.115 含水量(GT-13-1) ≤0.5%
  • 毒性分级:高毒
  • Hazard Note:Irritant
  • 用途一:用作治疗骨质疏松症的药物利塞膦酸钠的中间体
  • Alfa Aesar:3-乙酰基吡啶,98% 3-Acetylpyridine, 98%(350-03-8)
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • F:8-10
  • Acros Organics:3-乙酰基吡啶 3-Acetylpyridine, 98%(350-03-8)

系列性分类