3-甲基-1,5-戊二醇 3-甲基-1,5-戊二醇

CAS 4457-71-0 MFCD00039547

化学结构图

4457-71-0
SMILES: CC(CCO)CCO

化学属性

Mol. FormulaC6H14O2
Mol. Weight118.17
Density0.974 g/mL at 20 °C(lit.)
Refractive index1.4510 to 1.4550
Flash Point146°C(lit.)
TSCAYes
Boiling Point150 °C at 25 mmHg
Danger-Level甲类
Melting Point-60 °C

别名和识别编码

Chemical Name3-甲基-1,5-戊二醇
Beilstein Registry Number1697331
PubChem Substance ID20524
CAS Number4457-71-0
EC Number224-709-1
MDL NumberMFCD00039547
Reaxys-RN1697331
Synonym 3-Methylpentane-1,5-diol {LY} 3-Methylpentane-1,5-diol {} {LY} 3-Methylpentane-1,5-diol {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylpentane-1,5-diol {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3-甲基-1,5-戊二醇
Wiswesser Line NotationQ2Y1&2Q
LabNetwork Molecule IDLN00223069
InChIInChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3
Canonical SMILESCC(CCO)CCO
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分类

  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
  • {uni_hamburg} no charge; alcohol; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols

相关文献及参考

  • Short: EINECS
  • Short: IV/18B
  • Short: IV/20B
  • Short: IV/8G

安全信息

WGK Germany1
RTECSSA0800000
Personal Protective Equipment Eyeshields, Gloves
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
UN Number 1987
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#01094

Precautionary statements
  • P305+P351+P338
Signal word Warning
GHS Symbol
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:4457-71-0(sigmaaldrich)
  • TCI Shanghai:3-甲基-1,5-戊二醇 3-Methyl-1,5-pentanediol,>;97.0%(GC)(4457-71-0)
  • MOL 文件:4457-71-0.mol
  • 3-甲基-1,5-戊二醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0710 3-甲基-1,5-戊二醇 3-Methyl-1,5-pentanediol 500ML 831元 2014/06/02 M0710 3-甲基-1,5-戊二醇 3-Methyl-1,5-pentanediol 25ML 250元 2010/05/25 B20546 3-甲基-1,5-戊烷二醇, 99% 3-Methyl-1,5-pentanediol, 99% 5g 1103元
  • 图谱信息:3-甲基-1,5-戊二醇(4457-71-0)红外图谱(IR1) 3-甲基-1,5-戊二醇(4457-71-0)Raman光谱 3-甲基-1,5-戊二醇(4457-71-0)质谱(MS)
  • Alfa Aesar:3-甲基-1,5-戊烷二醇,99% 3-Methyl-1,5-pentanediol, 99%(4457-71-0)

系列性分类


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