1-Pentyn-3-ol 乙基乙炔基甲醇

CAS 4187-86-4 MFCD00004572

化学结构图

4187-86-4
SMILES: C#CC(O)CC

化学属性

Mol. FormulaC5H8O
Mol. Weight84.12
Refractive index1.4320 to 1.4350
Density0.975
Flash Point29°C(lit.)
TSCANo
Boiling Point123-125 °C at 760 mmHg
Vapor Density1 (vs air)
Melting Point-24.1 °C

别名和识别编码

Chemical Name1-Pentyn-3-ol
CAS Number4187-86-4
PubChem Substance ID92981
EC Number224-063-0
MDL NumberMFCD00004572
Reaxys-RN1098409
Synonym 1-Pentyn-3-ol {LY} 1-Pentyn-3-ol {} {LY} 1-Pentyn-3-ol {} {} {LY} 1-Pentyn-3-ol {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Pentyn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number1098409
Chemical Name Translation乙基乙炔基甲醇
Wiswesser Line NotationQY2&1UU1
InChIKeyLBSKEFWQPNVWTP-UHFFFAOYSA-N
LabNetwork Molecule IDLN00224149
InChIInChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3
Canonical SMILESCCC(C#C)O
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分类

  • Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal
  • {uni_hamburg} no charge; alcohol; racemate; 1fragment
  • {SNA} Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal

相关文献及参考

  • Aldrich MSDS 1 , 907:D / Corp MSDS 1 (2), 2724:C / FT-IR 2 (3), 4027:C / FT-IR 1 (2), 938:A / FT-NMR 1 (3), 512:A / IR-Spectra (2), 1253:F / IR-Spectra (3), 1435:H / NMR-Reference 2 (2), 955:A / RegBook 1 (2), 2701:H / Structure Index 1 , 425:A:9 / Vapor Phase 3 , 1587:B
  • 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 Codes T
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H331 Toxic if inhaled 吸入中毒
  • H301 Toxic if swallowed 吞食有毒
  • H311 Toxic in contact with skin 皮肤接触中毒
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSSC4758500
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。
  • P301+P310+P330
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P241+P242+P243
  • P370+P378
  • P303+P361+P353
  • P301+P310
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P405 Store locked up. 上锁保管。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P233 Keep container tightly closed. ?保持容器密闭。
Signal word
UN Number UN 1986 3/PG 3
Risk Statements
Safety Statements
Packing GroupIII
Hazard Class3/6.1
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       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 70 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 11,692,1956

其他信息

  • 乙基乙炔基甲醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0069 1-戊炔-3-醇 1-Pentyn-3-ol 10G 1760元 2010/05/25 B24853 1-戊炔-3-醇, 98% 1-Pentyn-3-ol, 98% 5g 692元 2010/05/25 B24853 1-戊炔-3-醇, 98% 1-Pentyn-3-ol, 98% 25g 2940元
  • TCI Shanghai:1-戊炔-3-醇 1-Pentyn-3-ol,>;97.0%(GC)(4187-86-4)
  • Alfa Aesar:1-戊炔-3-醇,98% 1-Pentyn-3-ol, 98%(4187-86-4)
  • Sigma Aldrich:4187-86-4(sigmaaldrich)
  • 蒸气密度:1 (vs air)
  • MOL 文件:4187-86-4.mol
  • 图谱信息:乙基乙炔基甲醇(4187-86-4)核磁图( 13 CNMR) 乙基乙炔基甲醇(4187-86-4)红外图谱(IR1) 乙基乙炔基甲醇(4187-86-4)质谱(MS) 乙基乙炔基甲醇(4187-86-4)核磁图( 1 HNMR)

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. Alkynes 炔
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkynes 炔
  5. Terminal - Alkynes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Acetylenes 炔烃

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