2,2,6-Trimethylcyclohexanone 2,2,6-三甲基环己酮

CAS 2408-37-9 MFCD00045550

化学结构图

2408-37-9
SMILES: CC1CCCC(C)(C)C1=O

化学属性

Mol. FormulaC9H16O
Mol. Weight140.22
Density0.904
Refractive index1.4470
Flash Point51°(125°F)
TSCAYes
Boiling Point178-179 °C at 760 mmHg
Melting Point-31.8 °C

别名和识别编码

Chemical Name2,2,6-Trimethylcyclohexanone
Synonym 2,2,6-Trimethylcyclohexanone {LY} 2,2,6-Trimethylcyclohexanone {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {} {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2,6-Trimethylcyclohexanone {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00045550
CAS Number2408-37-9
EC Number219-309-9
Beilstein Registry Number1905593
PubChem Substance ID17000
Chemical Name Translation2,2,6-三甲基环己酮
LabNetwork Molecule IDLN02141588
Canonical SMILESO=C1C(C)(C)CCCC1C
InChIInChI=1S/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ketone; racemate; 1fragment
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Short: II/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:10.1007/b75952 RefComment: VIII, 569 pages. Hardcover RefComment: Written for scientists and researchers in the fields of chemistry and physics Abstract: This fourth subvolume presents data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc) of free polyatomic molecules including free radicals and molecular ions. The survey on structure data consists of four subvolumes, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this fourth subvolume, the structure of molecules containing five to sixty carbon atoms is listed.
  • 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

Packing GroupIII
UN Number UN1224 UN 1224 3/PG 3
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S37 Wear suitable gloves 戴适当手套；
  • S43 In case of fire use ... (indicate in the space the precise type of fire-fighting equipment. If water increases the risk add -?Never use water) 着火时使用（指明具体的消防器材种类，如果用水增加危险，注明“禁止用水”
  • 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；
  • S7 Keep container tightly closed 保存在严格密闭容器中；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H332 Harmful if inhaled 吸入有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Warning
Hazard Class3
Storage condition Flammables area
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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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
  • P304+P312
  • P304+P340
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 2，2，6-三甲基环己酮 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • Acros Organics:2,2,6-Trimethylcyclohexanone, 98.5+%(2408-37-9)
  • MOL 文件:2408-37-9.mol
  • Alfa Aesar:2,2,6-三甲基环己酮,97% 2,2,6-Trimethylcyclohexanone, 97%(2408-37-9)
  • FEMA:3473
  • Sigma Aldrich:2408-37-9(sigmaaldrich)
  • 2,2,6-三甲基环庚烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 291900010 2,2,6-三甲基环庚烷 2,2,6-Trimethylcyclohexanone 98.5+% 1 GR 733元 2010/05/25 B21111 2,2,6-三甲基环己酮, 97% 2,2,6-Trimethylcyclohexanone, 97% 5g 2520元 2010/05/25 B21111 2,2,6-三甲基环己酮, 97% 2,2,6-Trimethylcyclohexanone, 97% 25g 9716元

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. C9 - Ketones

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