4,4-Dimethylpentan-2-one 4,4-二甲基戊烷-2-酮

CAS 590-50-1 MFCD00008854

化学结构图

590-50-1
SMILES: CC(=O)CC(C)(C)C

化学属性

Mol. FormulaC7H14O
Mol. Weight114.19
Refractive indexn20/D 1.404(lit.)
Boiling Point125-130 °C(lit.)
Density0.809 g/mL at 25 °C(lit.)
Flash Point66 °F

别名和识别编码

Chemical Name4,4-Dimethylpentan-2-one
Synonym 2-Pentanone, 4,4-dimethyl- 2-Pentanone,4,4-dimethyl- 4,4-DIMETHYL-2-PENTANONE 4,4-DIMETHYL-2-PENTANONE 99% 4,4-DIMETHYLPENTAN-2-ONE 4,4-Dimethyl-2-pentanone 4,4-Dimethyl-pentan-2-one 4,4-Dimethylpentan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number590-50-1
PubChem Substance ID11546
EC Number209-685-2
MDL NumberMFCD00008854
Chemical Name Translation4,4-二甲基戊烷-2-酮
InChIKeyAZASWMGVGQEVCS-UHFFFAOYSA-N
LabNetwork Molecule IDLN00240710
InChIInChI=1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3
Canonical SMILESCC(=O)CC(C)(C)C
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分类

  • {uni_hamburg} no charge; ketone; 1fragment
  • Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Beil. 1 ,702
  • Aldrich MSDS 1 , 790:A / Corp MSDS 1 (1), 1401:D / FT-IR 2 (1), 642:C / FT-IR 1 (1), 407:D / FT-NMR 1 (1), 634:B / IR-Spectra (3), 241:C / IR-Spectra (2), 215:C / NMR-Reference 2 (1), 371:B / RegBook 1 (1), 447:L / Structure Index 1 , 64:B:3 / Vapor Phase 3 , 489:D
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: IV/8I Title: Densities of Phenols, Aldehydes, Ketones, Carboxylic Acids, Amines, Nitriles, and Nitrohydrocarbons Author: Frenkel, M.; Hong, X.; Dong, Q.; Yan, X.; Chirico, R.D. Editor: Frenkel, M.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8I Year: 2002 Keyword: Thermodynamics; Thermodynamik ISBN: 978-3-540-42883-1 ISBN: 3-540-42883-6 Internet Resource: DOI:10.1007/b76771 RefComment: XI, 470 p., Hardcover RefComment: Written for Scientists and engineers in the fields of Physics, Chemistry and Physical Che

安全信息

GHS Symbol
WGK Germany3
Hazard Codes F
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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。
  • P303+P361+P353
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S29 Do not empty into drains 不要排入下水道；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R11 Highly flammable 非常易燃
Packing GroupII
Hazard Class3.1
UN Number UN 1224 3/PG 2

其他信息

  • 下游产品:
  • MOL 文件:590-50-1.mol
  • Sigma Aldrich:590-50-1(sigmaaldrich)
  • Hazard Note:Irritant
  • 图谱信息:4,4-二甲基-2-戊酮(590-50-1)Raman光谱 4,4-二甲基-2-戊酮(590-50-1)核磁图( 1 HNMR) 4,4-二甲基-2-戊酮(590-50-1)核磁图( 13 CNMR) 4,4-二甲基-2-戊酮(590-50-1)质谱(MS) 4,4-二甲基-2-戊酮(590-50-1)红外图谱(IR1)
  • 上游原料:乙醚 --> 硫酸 --> 镁 --> 重铬酸钾 --> 溴甲烷 --> 溴化亚铜 --> 4-甲基-3戊烯-2-酮 --> 碘化锂(无水)

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
  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. C7 to C8 - Ketones

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