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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
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


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