Cyclododecane 环十二烷

CAS 294-62-2 MFCD00014258

化学结构图

294-62-2
SMILES: C1CCCCCCCCCCC1

化学属性

Mol. FormulaC12H24
Mol. Weight168.32
Appearance 无色结晶。熔点60-61℃,沸点118℃(2.40kPa),相对密度0.871(20/4℃)。
Boiling Point111°C/17mmHg(lit.)
Melting Point60.0 to 63.0 deg-C

别名和识别编码

Chemical NameCyclododecane
Synonym cyclododecane 环十二烷 Cyclododecan CYCLODODECANE
MDL NumberMFCD00014258
CAS Number294-62-2
Reaxys-RN1901008
Beilstein Registry Number5(4)169
PubChem Substance ID9268
Chemical Name Translation环十二烷
EC Number206-033-9
LabNetwork Molecule IDLN00240139
InChIInChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; large ring; 12ring; 1fragment

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: 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,

安全信息

RTECSGV2295000
Hazard statements
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Packing GroupIII
Hazard Class4.1
GHS Symbol
WGK Germany3
Safety Statements
UN Number 1325
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOIZAG Toho Igakkai Zasshi.  Journal of Medical Society of Toho University.
   (Toho Daigaku Igakkai, 21-16, Omori-nishi, 5-chome, Ota-ku, Tokyo 143,
   Japan)  V.1-    1954-  Volume(issue)/page/year: 20(5/6),772,1973

其他信息

  • 上游原料:镍 --> 1,3-丁二烯 --> 1,5,9-环十二烷三烯
  • MOL 文件:294-62-2.mol
  • 用途一:有机中间体,用作尼龙的单体、十二内酰胺的中间体。
  • 图谱信息:环十二烷 (294-62-2)核磁图( 1 HNMR) 环十二烷 (294-62-2)Raman光谱 环十二烷 (294-62-2)核磁图( 13 CNMR) 环十二烷 (294-62-2)质谱(MS) 环十二烷 (294-62-2)红外图谱(IR2) 环十二烷 (294-62-2)红外图谱(IR1)
  • Sigma Aldrich:294-62-2(sigmaaldrich)
  • 方法一:1.环十二碳三烯加氢制取。也可由石油裂解所得C4馏分中的1,3-丁二烯直接进行三聚成环十二碳三烯,再经加氢而得。加氢所用催化剂为骨架镍,在压力1.961-2.941MPa、反应温度80-100℃条件下进行。整个反应过程较长,操作复杂。2.以环十二酮为原料,用锌汞齐和盐酸进行还原制得。
  • TCI Shanghai:环十二烷 Cyclododecane,>;99.0%(GC)(294-62-2)
  • 下游产品:十二烷二酸 --> 环十二醇

系列性分类


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