Benzylacetone, 99% 苄基丙酮

CAS 2550-26-7 MFCD00008790

化学结构图

2550-26-7
SMILES: CC(=O)CCC1CCCCC1

化学属性

Mol. FormulaC10H12O
Mol. Weight148.21
Refractive index1.5100 to 1.5130
Boiling Point235 °C at 760 mmHg
Density0.989
Flash Point98°C(lit.)
TSCAYes
Solubility难溶
Appearance 无色液体。沸点235℃，115℃（1.73kPa），相对密度0.985（22/4℃），折光率1.511（22℃），闪点98℃。
Melting Point-13 °C

别名和识别编码

Chemical NameBenzylacetone, 99%
Synonym Benzylacetone {LY} Benzylacetone {} {LY} Benzylacetone {} {} {LY} Benzylacetone {} {} {} {LY} Benzylacetone {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzylacetone {} {} {} {} {} {} {} {} {} {} {}
CAS Number2550-26-7
PubChem Substance ID17355
EC Number219-847-4
Beilstein Registry Number1907123
MDL NumberMFCD00008790
Reaxys-RN1907123
Chemical Name Translation苄基丙酮
Wiswesser Line Notation1V2R
LabNetwork Molecule IDLN00223708
Canonical SMILESCC(CCC1=CC=CC=C1)=O
InChIInChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
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分类

  • Aloe Vera, Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Nutrition Research, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb)
  • {SNA} Aloe Vera, Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学, 营养研究
  • {SNA} Aloe Vera, Building Blocks, C10, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Ketones,

产品应用

  • 医药中间体。

相关文献及参考

  • [2]. Liu X, et al. Inhibition effects of benzylideneacetone, benzylacetone, and 4-phenyl-2-butanol on the activity of mushroom tyrosinase. J Biosci Bioeng. 2015 Mar;119(3):275-9.
  • [3]. Ogawa K, et al. Appetite-Enhancing Effects: The Influence of Concentrations of Benzylacetone and trans-Cinnamaldehyde and Their Inhalation Time, as Well as the Effect of Aroma, on Body Weight in Mice. Biol Pharm Bull. 2016;39(5):794-8.
  • Beilstein:7,314
  • Short: II/5
  • Short: III/35C1
  • Short: III/38B
  • [1]. Takamatsu S, et al. Agarotetrol: a source compound for low molecular weight aromatic compounds from agarwood heating. J Nat Med. 2018 Mar;72(2):537-541.
  • [1]. Takamatsu S, et al. Agarotetrol: a source compound for low molecular weight aromatic compounds from agarwood heating. J Nat Med. 2018 Mar;72(2):537-541.
  • [2]. Liu X, et al. Inhibition effects of benzylideneacetone, benzylacetone, and 4-phenyl-2-butanol on the acti

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H303+H313
  • H315 Causes skin irritation 会刺激皮肤
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
RTECSEL9600000
Signal word Warning
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R38 Irritating to skin 刺激皮肤
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   21,647,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1590 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book
   Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23,    1978-88. For
   publisher information, see ZYZAEU.  Volume(issue)/page/year: 15(5),7,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   21,647,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 583 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book
   Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23,    1978-88. For
   publisher information, see ZYZAEU.  Volume(issue)/page/year: 1

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 海关编码:29143900
  • 方法一:（1）由氯苄经缩合、水解、脱二氧化碳而得。（2）由苯甲醛和丙酮合成苄叉丙酮，再经氢化还原得4-苯基丁酮-2。4-苯基丁酮-2的制备将乙醇（95%1100ml）、苄叉丙酮（480g）、Raney Ni（48g）、适量乙酸投入反应瓶，将温度控制在48-50℃，常压搅拌吸氢至足量。反应4-5h。滤去Raney Ni。滤液蒸去乙醇，减压蒸馏，收集123-125℃（2.67kPa）馏分，得4-苯基丁酮-2为465.8g。折光率1.513，收率95.7%。
  • 用途一:用作医药合成的中间体
  • Sigma Aldrich:2550-26-7(sigmaaldrich)
  • 图谱信息:苄基丙酮(2550-26-7)核磁图( 1 HNMR) 苄基丙酮(2550-26-7)Raman光谱 苄基丙酮(2550-26-7)质谱(MS) 苄基丙酮(2550-26-7)红外图谱(IR1) 苄基丙酮(2550-26-7)核磁图( 13 CNMR)
  • TCI Shanghai:4-苯基-2-丁酮 4-Phenyl-2-butanone,>;95.0%(GC)(2550-26-7)
  • MOL 文件:2550-26-7.mol
  • 苄基丙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30020580 苄丙酮 100ml 425元 2011/04/16 B0405 4-苯基-2-丁酮 4-Phenyl-2-butanone 25ML 125元 2011/04/16 B0405 4-苯基-2-丁酮 4-Phenyl-2-butanone 500ML 690元
  • Acros Organics:苄基丙酮/4-苯基-2-丁酮 Benzylacetone, 99+%(2550-26-7)
  • 不溶于水；溶于乙醇、乙醚、氯仿；极溶于丙酮。
  • 用途二:医药中间体。
  • MSDS 信息:4-Phenyl-2-butanone(2550-26-7).msds
  • Alfa Aesar:苄基丙酮,98% 4-Phenyl-2-butanone, 98%(2550-26-7)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C10 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮
  1. Medical Research Areas
  2. Metabolism
  3. Tyrosinase  (酪氨酸酶)

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