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丙酮醛 | 78-98-8

丙酮醛
Pyruvaldehyde
78-98-8
C3H4O2
72.0626611709595
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:丙酮醛结构式
丙酮醛MSDS
880
丙酮醛价格
简介
丙酮醛是一种醛类化合物,又称甲基乙二醛、2-氧代丙醛。形态为黄色或黄棕色透明液体,有辛辣气味,具有吸湿性。用作医药、农药中间体及生化试剂。
2017年10月27日,世界卫生组织国际癌症研究机构公布的致癌物清单初步整理参考,丙酮醛在3类致癌物(对人体致癌性尚未归类的物质或混合物
)清单中。

名称和标识符
MDL MFCD00006960
InChIKey AIJULSRZWUXGPQ-UHFFFAOYSA-N
Inchi 1S/C3H4O2/c1-3(5)2-4/h2H,1H3
SMILES O=CC(C)=O
BRN 906750
别名信息
- 中文别名 -
  • 丙酮醛
  • 甲基乙二醛
  • ***醛
  • 焦性葡萄醛
  • 2-氧代丙醛
  • 酮丙醛
- 英文别名 -
  • Methylglyoxal
  • 1-ketopropionaldehyde
  • 2-ketopropionaldehyde
  • 2-Oxopropanal
  • 2-oxopropionaldehyde
  • acetylformaldehyde
  • acetylformyl
  • alpha-ketopropionaldehyde
  • propanedione
  • propanolone
  • pyroracemic aldehyde
  • pyruvaldehyde
  • Pyruvic aldehyde
  • Carbonyl Compounds Mix B
  • Propanal, 2-oxo-
  • METHYL GLYOXAL
  • Glyoxal, methyl
  • Propionaldehyde, 2-keto
  • Propionaldehyde, 2-oxo-
  • 1,2-Propanedione
  • Acetalformaldehyde
  • alpha-Ketopropionic aldehyde
  • 2-oxo-Propionaldehyde
  • CH3COCHO
  • FEMA No. 2969
  • methyl-glyoxal
  • 2-oxo-propanal
  • Pyruvaldehyde
  • Acetylformaldehyde
  • 2-Ketopropionaldehyde
  • 2-Oxopropanal (ACI)
  • Pyruvaldehyde (8CI)
  • 2-Oxopropionaldehyde
  • Acetylformyl
  • MeSH ID: D011765
  • NSC 626580
  • NSC 79019
  • Pyroracemic aldehyde
  • α-Ketopropionaldehyde
物化性质
实验特性
LogP -0.22570
PSA 34.14000
Merck 14,6081
折射率 1.4209
水溶性 >=10 g/100 mL at 17 ºC
沸点 72 ºC
熔点 25 ºC
闪点 9
FEMA 2969 | PYRUVALDEHYDE
浓度 ~40% in H2O
颜色与性状 黄色粘稠状液体,具有刺激性辛辣气味和焦糖样甜味。
溶解性 溶于乙醇、乙醚和苯。
敏感性 Air Sensitive
密度 1.19 g/mL at 20 °C
计算特性
精确分子量 72.02110
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 1
同位素质量 72.021129
重原子数量 5
复杂度 55.9
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -0.4
互变异构体数量 2
表面电荷 0
拓扑分子极性表面积 34.1
国际标准相关数据
EINECS 1741
海关数据
海关编码 2914400090
海关数据

中国海关编码:

2914400090

概述:

2914400090 其他酮醇及酮醛。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙酮报明包装

Summary:

2914400090 other ketone-alcohols and ketone-aldehydes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Metal-Free Aerobic Alcohol Oxidation: Intensification under Three-Phase Flow Conditions
Aellig, Christof; Scholz, David; Hermans, Ive, ChemSusChem, 2012, 5(9), 1732-1736

合成路线:1 步

反应条件:
参考文献:
Acyloin condensations. I. Formation of a new reductone from methylglyoxal
Gorlich, Bruno, Chemische Berichte, 1956, 89, 2145-54

合成路线:1 步

反应条件:
参考文献:
Highly active tin(IV) phosphate phase transfer catalysts for the production of lactic acid from triose sugars
Wang, Xincheng; Liang, Fengbing; Huang, Chongpin; Li, Yingxia; Chen, Biaohua, Catalysis Science & Technology, 2015, 5(9), 4410-4421

合成路线:1 步

反应条件:
参考文献:
Synthesis by use of diazoketones
Weygand, F.; Bestmann, H. J., Angewandte Chemie, 1960, 72, 535-54

合成路线:1 步

反应条件:
参考文献:
Silica-supported chromia-titania catalysts for selective formation of lactic acid from a triose in water
Takagaki, Atsushi ; Goto, Hiroshi; Kikuchi, Ryuji ; Oyama, S. Ted, Applied Catalysis, 2019, 570, 200-208

合成路线:1 步

反应条件:
参考文献:
Selenium dioxide, a new oxidizing agent. I. Its reactions with aldehydes and ketones
Riley, Harry L.; Morley, John F.; Friend, Norman A. C., Journal of the Chemical Society, 1932, 1875, 1875-83

合成路线:1 步

反应条件:
参考文献:
Calcium-Catalyzed, Synthesis of Fused-Furo[2,3-b]furans and Substituted Furans from 2-Oxo Aldehydes and Cyclic Enols
Yaragorla, Srinivasarao ; Ithu, Sanyasi Rao; Arun, Doma; Srivardhan, Valmuri, Journal of Organic Chemistry, 2023, 88(24), 16817-16828

合成路线:1 步

反应条件:
参考文献:
Novel hydride transfer catalysis for carbohydrate conversions
Holladay, Johnathan E.; Brown, Heather M.; Appel, Aaron M.; Zhang, Z. Conrad, Chemical Industries (Boca Raton, 2009, 123, 411-418

合成路线:1 步

反应条件:
参考文献:
The smallest vicinal tricarbonyl compound as a monohydrate and tetracarbonyl compound as a thiane derivative - first effective synthesis, characterization and chemistry
Goswami, Shyamaprosad; Maity, Annada C.; Fun, Hoong-Kun; Chantrapromma, Suchada, European Journal of Organic Chemistry, 2009, (9), 1417-1426

合成路线:1 步

反应条件:
参考文献:
Synthesis and utilization of saccharin derivatives
Maiti, Sushanta; Rambabu, D.; Prasad, A. S. G.; Rao, G. Venkata; Rao, Mandava V. Basaveswara, Journal of Applicable Chemistry (Lumami, 2012, 1(4), 467-477

合成路线:1 步

反应条件:
参考文献:
A new synthetic method for α-oxo aldehydes. Reaction of α-picoline N-oxide with α-halo ketones
Kato, Tetsuzo; Goto, Yoshinobu; Yamamoto, Yutaka, Yakugaku Zasshi, 1964, 84(3), 287-9

合成路线:1 步

反应条件:
参考文献:
Homologous α-oxo aldehydes from carboxylic acids
Weygand, Friedrich; Bestmann, Hans Jurgen, Chemische Berichte, 1957, 90, 1230-4

合成路线:1 步

反应条件:
参考文献:
Catalytic Transformation of Biomass-Derived Hemicellulose Sugars by the One-Pot Method into Oxalic, Lactic, and Levulinic Acids Using a Homogeneous H2SO4 Catalyst
By Sobus, Natalia and Czekaj, Izabela, Catalysts, 2023, 13(2), 349

合成路线:1 步

反应条件:
参考文献:
The support influence of Au-based catalysts in glycerin selective oxidation to glyceric acid
By Shen, Lingqin et al, Journal of Chemical Technology and Biotechnology, 2023, 98(1), 179-187

合成路线:1 步

反应条件:
参考文献:
An efficient and reusable vanadium based catalytic system for room temperature oxidation of alcohols to aldehydes and ketones
Sarmah, Gayatri; Bharadwaj, Saitanya K.; Dewan, Anindita; Gogoi, Ankur; Bora, Utpal, Tetrahedron Letters, 2014, 55(36), 5029-5032

合成路线:1 步

反应条件:
参考文献:
Formation of Pyruvaldehyde (2-Oxopropanal) by Oxidative Dehydrogenation of Hydroxyacetone
Ai, Mamoru; Ohdan, Kyoji, Bulletin of the Chemical Society of Japan, 1999, 72(9), 2143-2148

合成路线:1 步

参考文献:
Kinetic studies of the reactions of ketoses and aldoses in water at high temperature. 2. Four-carbon model compounds for the reactions of sugars in water at high temperature
Antal, Michael Jerry Jr.; Mok, William S. L.; Richards, Geoffrey N., Carbohydrate Research, 1990, 199(1), 111-15

合成路线:1 步

反应条件:
参考文献:
Study on synthesis catalyst of acetone aldehyde from 1, 2-propanediol
Xu, Fang; Cui, Bingchun; Cui, Weixing; Wei, Guipeng, Henan Huagong, 2009, 26(7), 42-43
相关文献
专业数据库参考
PubChemId 880
参考资料
Beilstein 906750
产品用途
用作医药、农药中间体及生化试剂
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