Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel- (1R,2S,5R)-2,6,6-三甲基双环[3.1.1]庚烷

CAS 4795-86-2 MFCD00066420

化学结构图

4795-86-2
SMILES: C[C@H]1CC[C@@H]2C[C@H]1C2(C)C

化学属性

Mol. FormulaC10H18
Mol. Weight138.25
Refractive indexn20/D 1.463
Boiling Point168-169 °C(lit.)
Density0.856 g/mL at 20 °C(lit.)

别名和识别编码

Chemical NameBicyclo[3.1.1]heptane, 2,6,6-trimethyl-, (1R,2S,5R)-rel-
Synonym (1r,2s,5r)-2,6,6-Trimethylbicyclo[3.1.1]heptane {LY} (1r,2s,5r)-2,6,6-Trimethylbicyclo[3.1.1]heptane pinane pinane, (1R-(1alpha,2beta,5alpha))-isomer pinane, (1S-(1alpha,2beta,5alpha))-((-)-cis)-isomer pinane, (1alpha,3beta,5alpha)-(cis)-isomer pinane, cis- pinane, cis-(+)- pinane, cis-(-)- pinane, trans- {} {LY} (1r,2s,5r)-2,6,6-Trimethylbicyclo[3.1.1]heptane {} {} {LY} (1r,2s,5r)-2,6,6-Trimethylbicyclo[3.1.1]heptane {} {} {} {LY} (1r,2s,5r)-2,6,6-Trimethylbicyclo[3.1.1]heptane {} {} {} {} {LY} (1r,2s,5r)-2,6,6-Trimethylbicyclo[3.1.1]heptane {} {} {} {} {} {LY} (1r,2s,5r)-2,6,6-Trimethylbicyclo[3.1.1]heptane {} {} {} {} {} {} {LY} (1r,2s,5r)-2,6,6-Trimethylbicyclo[3.1.1]heptane {} {} {} {} {} {} {} {LY} (1r,2s,5r)-2,6,6-Trimethylbicyclo[3.1.1]heptane {} {} {} {} {} {} {} {} {LY} (1r,2s,5r)-2,6,6-Trimethylbicyclo[3.1.1]heptane {} {} {} {} {} {} {} {} {} {LY} (1r,2s,5r)-2,6,6-Trimeth
MDL NumberMFCD00066420
CAS Number4795-86-2
PubChem Substance ID10953595
EC Number225-352-4
Beilstein Registry Number2036204
Chemical Name Translation(1R,2S,5R)-2,6,6-三甲基双环[3.1.1]庚烷
InChIInChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
Canonical SMILESC[C@H]1CC[C@@H]2C[C@H]1C2(C)C
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; fused rings; 4ring; 6ring; chiral; 1fragment
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography, Life Sciences Standards, Natural Compounds, Natural Terpene Standards, P, PER - POLA
  • {SNA} Additional Standards, Analytical Standards, Chemical Class, Chromatography, Isoprenoids, Life Sciences Standards, Natural Compounds, Natural Terpene Standards, Phytochemical Standards, 分析/色谱
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Chemical Class, Chromatography,

相关文献及参考

  • 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; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • 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

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Warning
Risk Statements
  • R10 Flammable 易燃
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P301+P310
  • P301+P316
  • P302+P352
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P331 Do NOT induce vomiting.. 不要催吐。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P370+P378
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Natural Compounds - Life Sciences Standards
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. P - Alphabetic
  5. PER - POLA - P

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