1-Ethynyl-1-cyclohexanol 乙炔环已醇

CAS 78-27-3 MFCD00003858

化学结构图

78-27-3
SMILES: C#CC1(O)CCCCC1

化学属性

Mol. FormulaC8H12O
Mol. Weight124.18
Density0.967
Boiling Point180 °C at 760 mmHg
Vapor Pressure<;1 mmHg ( 20 °C)
Melting Point30-33 °C
Refractive index1.4830
Flash Point73°(163°F)
TSCAYes
Solubility10 G/L (20 ºC)
Appearance 白色结晶。熔点30-31℃,沸点180℃,66℃(1.07kPa),折光率1.4820(20℃)。

别名和识别编码

Chemical Name1-Ethynyl-1-cyclohexanol
CAS Number78-27-3
Alfabeta NameETHYNYLCYCLOHEXANOL 1-
MDL NumberMFCD00003858
Synonym 1-Ethynylcyclohexanol {LY} 1-Ethynylcyclohexanol {} {LY} 1-Ethynylcyclohexanol {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Ethynylcyclohexanol {} {} {} {} {} {}
EC Number201-100-9
Beilstein Registry Number471404
PubChem Substance ID87569564
Reaxys-RN471404
Chemical Name Translation乙炔环已醇
Wiswesser Line NotationL6TJ AQ A1UU1
LabNetwork Molecule IDLN00132033
Canonical SMILESOC1(C#C)CCCCC1
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分类

  • {SNA} Alkynes, Building Blocks, Chemical Reagents, Chemical Synthesis, Development Quantities for Research, Organic Building Blocks, Terminal
  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; alcohol; 1fragment
  • {SNA} Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal

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

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany1
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • 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;
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Precautionary statements
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P332+P313
  • P302+P352+P312+P361+P364
  • P405 Store locked up. 上锁保管。
  • P305+P351+P338+P337+P313
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSGV9100000
Packing GroupIII
UN Number UN 2811 6.1/PG 3
Hazard Codes Xn Xn,Xi
Hazard Class6.1
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 5,161,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 600 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

其他信息

  • TCI Shanghai:1-乙炔基-1-环己醇 1-Ethynyl-1-cyclohexanol,>;98.0%(GC)(78-27-3)
  • 用途一:用于有机合成。
  • MOL 文件:78-27-3.mol
  • Acros Organics:1-乙炔基-1-环已醇 1-Ethynyl-1-cyclohexanol, 99+%(78-27-3)
  • MSDS 信息:1-Ethynylcyclohexanol(78-27-3).msds
  • 乙炔环己醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 E0297 1-乙炔基-1-环己醇 1-Ethynyl-1-cyclohexanol 500G 1310元 2014/06/02 E0297 1-乙炔基-1-环己醇 1-Ethynyl-1-cyclohexanol 25G 176元 2010/06/21 119105000 乙炔环己醇 1-Ethynyl-1-cyclohexanol 99+% 500 GR 1125元
  • 海关编码:29061900
  • 上游原料:氢氧化钠 --> 乙酸乙酯 --> 乙醚 --> 四氢呋喃 --> 二氯甲烷 --> 氯化铵 --> 环己酮 --> 叔丁醇钾 --> 乙炔
  • 方法一:将干燥的乙炔通入液氨中,同时加入钠,并滴加环已酮。加料完毕,将反应混合物放置20h,使氨挥发尽。加入冰水分解混合物中的固体残留物,然后用50%硫酸酸化。取有机层,水层用乙醚提取,将有机层与乙醚提取液混合,蒸除乙醚后减压蒸馏,收集(18.67kPa)馏分,得1-乙炔基-1-环已醇,收率65-74%。
  • Sigma Aldrich:78-27-3(sigmaaldrich)
  • 蒸气压:<;1 mm Hg ( 20 °C)
  • 下游产品:乙酰基环已烯
  • 图谱信息:乙炔环己醇(78-27-3)红外图谱(IR1) 乙炔环己醇(78-27-3)质谱(MS) 乙炔环己醇(78-27-3)红外图谱(IR2) 乙炔环己醇(78-27-3)核磁图( 13 CNMR) 乙炔环己醇(78-27-3)核磁图( 1 HNMR) 乙炔环己醇(78-27-3)红外图谱(IR3)
  • Alfa Aesar:1-乙炔基-1-环己醇,99% 1-Ethynylcyclohexanol, 99%(78-27-3)
  • 检测方法:NMR,MS,GC

系列性分类


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