1,5-Pentanediol 1,5-戊二醇

CAS 111-29-5 MFCD00002978

化学结构图

111-29-5
SMILES: OCCCCCO

化学属性

Mol. FormulaC5H12O2
Mol. Weight104.15
Refractive index1.4500 to 1.4520
Boiling Point239°C at 760 mmHg
Density0.994
Flash Point136°C
TSCAYes
Melting Point-18°C
Autoignition Point635 °F
Vapor Pressure<;0.01 mmHg ( 20 °C)
Solubility与水混溶，可混溶于甲醇、乙醇、丙酮。
Stability对湿度敏感

别名和识别编码

Chemical Name1,5-Pentanediol
Synonym 1,5-Dihydroxypentane {LY} 1,5-Dihydroxypentane {} {LY} 1,5-Dihydroxypentane {} {} {LY} 1,5-Dihydroxypentane {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,5-Dihydroxypentane
CAS Number111-29-5
PubChem Substance ID8105
EC Number203-854-4
Beilstein Registry Number1560130
MDL NumberMFCD00002978
Reaxys-RN1560130
Merck Number7117
Chemical Name Translation1,5-戊二醇
Wiswesser Line NotationQ5Q
LabNetwork Molecule IDLN00195399
InChIInChI=1S/C5H12O2/c6-4-2-1-3-5-7/h6-7H,1-5H2
Canonical SMILESOCCCCCO
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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

产品应用

  • 用作化学溶剂。在聚氨酯中可用作合成特殊聚酯及用作扩链剂。

相关文献及参考

  • Short: II/27B
  • Merck:14,7117
  • Merck:14,7117 Beilstein:1,481
  • Short: III/38B

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves
RTECSSA0480000
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P301+P312+P330
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
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 - rat
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 23,418,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 pe

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 4600 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - excitement
   Behavioral - muscle weakness
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 38(9),14,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   49,385,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >20 mL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/ye

其他信息

  • Alfa Aesar:1,5-戊二醇,97% 1,5-Pentanediol, 97%(111-29-5)
  • 毒性分级:中毒
  • TCI Shanghai:1,5-戊二醇 1,5-Pentanediol,>;97.0%(GC)(111-29-5)
  • Sigma Aldrich:111-29-5(sigmaaldrich)
  • 海关编码:29053980
  • 灭火剂:泡沫、干粉、二氧化碳、砂土
  • 急性毒性:口服- 大鼠 LD50: 2000 毫克/ 公斤; 口服- 小鼠 LD50: 6300 毫克/ 公斤
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃; 燃烧排放刺激烟雾
  • MOL 文件:111-29-5.mol
  • 类别:易燃液体
  • 敏感性:Hygroscopic
  • Acros Organics:1,5-戊二醇 1,5-Pentanediol, 98%(111-29-5)
  • 刺激数据:皮肤- 兔子 495 毫克 轻度
  • 储运特性:库房通风低温干燥
  • 蒸气压:<;0.01 mm Hg ( 20 °C)
  • 方法一:1.以四氢糠醛为原料，经催化加氢而得。加氢操作在高温高压下进行，反应温度300-310℃，压力为22-42MPa，工业化有一定因难可先将四氢糠醇制成二氢吡喃，再由二氢吡喃水合制5-羟基戊醛，然后经催化加氢而得到1,5-戊二醇。将二氢吡喃、水及少量盐酸加入水合釜内，于50℃反应30-40min，用氢氧化钠溶液中和反应液后进行蒸馏，先脱除水分，再收集60-64℃（0.4kPa）馏分得到5-羟基戊醛，将其加入高压釜，在镍催化剂作用下，于120-150℃、约6兆帕压力下加氢，反应结束后，减压蒸馏，收集119-120℃（0.4kPa）馏分，即为成品。2.由环戊二烯光氧化而得环氧戊烯醛，再于70-100℃、约7MPa压力催化加氢而得。
  • 用途一:用作有机合成中间体，用于制造聚酯、聚醚和香料等。
  • 是一种含奇数碳原子二伯羟化合物基团，有苦味,和水混溶。
  • 图谱信息:1,5-戊二醇(111-29-5)核磁图( 1 HNMR) 1,5-戊二醇(111-29-5)核磁图( 13 CNMR) 1,5-戊二醇(111-29-5)Raman光谱 1,5-戊二醇(111-29-5)质谱(MS) 1,5-戊二醇(111-29-5)红外图谱(IR1)
  • 上游原料:茂 --> 四氢糠醇 --> 二氢吡喃 --> 5-羟基戊醛
  • 下游产品:苯磺酸阿曲库铵
  • 外观性质:无色、无味、粘稠液体。
  • 用途二:用作化学溶剂。在聚氨酯中可用作合成特殊聚酯及用作扩链剂。
  • 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 2011/08/23 K7689201 1.5-戊二醇purum≈97％ 250ml 375元 2011/04/16 P0050 1,5-戊二醇 1,5-Pentanediol 25G 124元 2011/04/16 P0050 1,5-戊二醇 1,5-Pentanediol 500G 545元
  • MSDS 信息:1,5-戊二醇(111-29-5).msds

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. 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. Oxygen Compounds 氧化合物
  5. Polyols - 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. Oxygen Compounds 氧化合物
  5. Phenols

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