4,4-Dimethylcyclohexanone 4,4-二甲基环己酮

CAS 4255-62-3 MFCD00234965

化学结构图

4255-62-3
SMILES: CC1(C)CCC(=O)CC1

化学属性

Mol. FormulaC8H14O
Mol. Weight126.20
Density1.422
Melting Point41-45°C
Flash Point62°(144°F)
TSCANo
Boiling Point170.6°C at 760 mmHg

别名和识别编码

Chemical Name4,4-Dimethylcyclohexanone
CAS Number4255-62-3
Alfabeta NameDIMETHYLCYCLOHEXANONE 44-,
MDL NumberMFCD00234965
Synonym 4,4-Dimethylcyclohexanone {LY} 4,4-Dimethylcyclohexanone {} {LY} 4,4-Dimethylcyclohexanone {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number250-023-7
Beilstein Registry Number2384789
PubChem Substance ID138166
Reaxys-RN385783
Chemical Name Translation4,4-二甲基环己酮
InChIKeyPXQMSTLNSHMSJB-UHFFFAOYSA-N
LabNetwork Molecule IDLN00009765
InChIInChI=1S/C8H14O/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3
Canonical SMILESO=C1CCC(CC1)(C)C
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分类

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

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 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), and carbon-13 (subvol. D) 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.

安全信息

Warnings IRRITANT
Signal word Danger Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • 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。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
Hazard statements
  • H228 Flammable solid 易燃固体
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes F,Xi
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°

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
  6. C7 to C8 - Ketones
  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. Aromatic Ketones