3-Methyl-4H-Chromen-4-One 甲色酮

CAS 85-90-5 MFCD00053599

化学结构图

85-90-5
SMILES: Cc1coc2ccccc2c1=O

化学属性

Mol. FormulaC10H8O2
Mol. Weight160.17
Melting Point68 °C
Boiling Point246.06 °C at 760 mmHg

别名和识别编码

Chemical Name3-Methyl-4H-Chromen-4-One
CAS Number85-90-5
Synonym 3-Methylchromone {LY} 3-Methylchromone {} {LY} 3-Methylchromone {} {} {LY} 3-Methylchromone {} {} {} {LY} 3-Methylchromone {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylchromone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00053599
EC Number201-641-0
Chemical Name Translation甲色酮
Beilstein Registry Number0117920
PubChem Substance ID66569
InChIInChI=1S/C10H8O2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-6H,1H3
Canonical SMILESO=C1C(C)=COC2=C1C=CC=C2
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分类

  • {SNA} Benzopyrans, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; large ring; fused rings; 6ring; 10ring; ketone; ether; 1fragment

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Hazard Codes Xn
GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Signal word Warning
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
RTECSDJ3100480 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 13,619,1958

Precautionary statements
  • 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。
  • P301+P312
  • P301+P317
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzopyrans 苯并吡喃

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