1,1-Dimethylcyclohexane 1,1-二甲基环己烷

CAS 590-66-9 MFCD00001499

化学结构图

590-66-9
SMILES: CC1(C)CCCCC1

化学属性

Mol. FormulaC6H10(CH3)2
Mol. Weight112.21
Refractive indexn20/D 1.428(lit.)
Boiling Point118-120 °C(lit.)
Vapor Pressure42 mmHg ( 37.7 °C)
Density0.777 g/mL at 25 °C(lit.)
Flash Point45 °F
Solubility不溶于水,溶于乙醇、乙醚等多数有机溶剂。

别名和识别编码

Chemical Name1,1-Dimethylcyclohexane
Synonym 1,1-二甲基环已烷 {uni_hamburg} 1,1-dimethyl-cyclohexane 1,1-二甲基环己烷 gem-dimethylcyclohexane cyclohexane,1,1-dimethyl- 1,1-二甲基环己烷 1,1-DIMETHYLCYCLOHEXANE 97% cyclohexane, 1,1-dimethyl- 3,3-DIMETHYLCYCLOHEXANE 1,1-Dimethylcyclohexane,97% 1,1-dimethylcyclohexane Gem-Dimethylcyclohexane dimethyl1,1-cyclohexane 1,1-DIMETHYLCYCLOHEXANE
MDL NumberMFCD00001499
CAS Number590-66-9
PubChem Substance ID11549
EC Number209-687-3
Beilstein Registry Number1900304
Chemical Name Translation1,1-二甲基环己烷
InChIKeyQEGNUYASOUJEHD-UHFFFAOYSA-N
InChIInChI=1S/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H3
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; 1fragment
  • {SNA} Alkanes, Building Blocks, Chemical Synthesis, Cyclic, 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: II/5 Title: Molecular Acoustics Author: Schaaffs, W. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/5 Year: 1967 ISBN: 3-540-03897-3 ISBN: 978-3-540-03897-9 Internet Resource: DOI:10.1007/b19950 RefComment: 321 figs., XII, 286 pages, Hardcover
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refr

安全信息

GHS Symbol
WGK Germany3
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
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Hazard Codes F
Risk Statements
  • R11 Highly flammable 非常易燃
Storage condition Flammables area
UN Number UN 2263 3/PG 2
Warnings 危化品目录(2015) 危险化学品

其他信息

  • MOL 文件:590-66-9.mol
  • 蒸气压:42 mm Hg ( 37.7 °C)
  • PackingGroup:II
  • HazardClass:3.1
  • 外观性质:无色液体。
  • 图谱信息:1,1-二甲基环己烷(590-66-9)核磁图( 1 HNMR) 1,1-二甲基环己烷(590-66-9)核磁图( 13 CNMR) 1,1-二甲基环己烷(590-66-9)质谱(MS) 1,1-二甲基环己烷(590-66-9)红外图谱(IR1)

系列性分类


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