2,6-Dimethyl-4H-pyran-4-one 2,6-二甲基-4-吡喃酮

CAS 1004-36-0 MFCD00006579

化学结构图

1004-36-0
SMILES: CC1CC(=O)CC(C)O1

化学属性

Mol. FormulaC7H8O2
Mol. Weight124.14
Boiling Point248-250°C at 760 mmHg
Melting Point133-137°C
TSCANo
Flash Point248-250°C
Density1.065

别名和识别编码

Chemical Name2,6-Dimethyl-4H-pyran-4-one
Synonym 2,6-Dimethyl-4H-pyran-4-one {LY} 2,6-Dimethyl-4H-pyran-4-one {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dimethyl-4H-pyran-4-one {} {} {} {} {} {} {}
MDL NumberMFCD00006579
PubChem Substance ID13862
Beilstein Registry Number17,291
CAS Number1004-36-0
EC Number213-719-1
Reaxys-RN107418
Alfabeta NameDIMETHYLPYRANONE H2644-----,
Chemical Name Translation2,6-二甲基-4-吡喃酮
Wiswesser Line NotationT6O DVJ B1 F1
LabNetwork Molecule IDLN00335449
InChIInChI=1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
Canonical SMILESO=C1C=C(C)OC(C)=C1
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分类

  • Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {uni_hamburg} no charge; oxygen heterocycle; 6RingOnly; 6ring; ketone; ether; 1fragment
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Short: IV/1a
  • Beilstein:17,291
  • Short: EINECS

安全信息

WGK Germany3
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn
RTECSUQ0780000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning {} {} {} {} {TCI}
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • 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。
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Warnings IRRITANT
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1670 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SKEZAP Shokuhin Eiseigaku Zasshi.  Food Hygiene Journal.  (Nippon Shokuhin
   Eisei Gakkai c/o Shokuhin Eisei Senta, 2-6-1 Jingumae, Shibuya-ku, Tokyo
   150, Japan)  V.1-    1960-  Volume(issue)/page/year: 12,520,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#01722

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • MOL 文件:1004-36-0.mol
  • TCI Shanghai:2,6-二甲基-4H-吡喃-4-酮 2,6-Dimethyl-gamma-pyrone,>;99.0%(GC)(1004-36-0)
  • 图谱信息:2,6-二甲基-4-吡喃酮(1004-36-0)质谱(MS) 2,6-二甲基-4-吡喃酮(1004-36-0)核磁图( 13 CNMR) 2,6-二甲基-4-吡喃酮(1004-36-0)红外图谱(IR2) 2,6-二甲基-4-吡喃酮(1004-36-0)红外图谱(IR1) 2,6-二甲基-4-吡喃酮(1004-36-0)Raman光谱 2,6-二甲基-4-吡喃酮(1004-36-0)核磁图( 1 HNMR)
  • 海关编码:29329995
  • MSDS 信息:2,6-Dimethyl-4H-pyran-4-one(1004-36-0).msds
  • 2,6-二甲基-4-吡喃酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0794 2,6-二甲基-γ-吡喃酮 2,6-Dimethyl-gamma-pyrone 25G 625元 2014/06/02 D0794 2,6-二甲基-γ-吡喃酮 2,6-Dimethyl-gamma-pyrone 5G 228元 2010/06/21 116740250 2,6-二甲基-4-吡喃酮 2,6-Dimethyl-gamma-pyrone 99% 25 GR 945元
  • Sigma Aldrich:1004-36-0(sigmaaldrich)
  • Acros Organics:2,6-二甲基-4H-吡喃-4-酮 2,6-Dimethyl-gamma-pyrone, 99%(1004-36-0)
  • Alfa Aesar:2,6-二甲基-4-吡喃酮,99% 2,6-Dimethyl-4-pyrone, 99%(1004-36-0)

系列性分类


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