Pinacol 频哪醇

CAS 76-09-5 MFCD00004462

化学结构图

76-09-5
SMILES: CC(C)(O)C(C)(C)O

化学属性

Mol. FormulaC6H14O2
Mol. Weight118.17
Boiling Point174.4°C at 760 mmHg
Melting Point40-43°C
Density0.963
Flash Point77°C
TSCAYes
Appearance 含6分子结晶水者为无色片状结晶,在醇或醚中结晶析出者为无色针状的无水物。熔点47℃,38℃(无水物),沸点175℃。易溶于热水、醇和醚,微溶于冷水和二硫化碳。
SolubilitySoluble in hot water, alcohol, and diethyl ether.
Stability易吸潮

别名和识别编码

Chemical NamePinacol
Synonym 2,3-Dimethylbutane-2,3-diol {LY} 2,3-Dimethylbutane-2,3-diol {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {} {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {} {} {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Dimethylbutane-2,3-diol
CAS Number76-09-5
PubChem Substance ID87567331
EC Number200-933-5
Beilstein Registry Number1,487
MDL NumberMFCD00004462
Reaxys-RN1340501
Merck Number7439
Chemical Name Translation频哪醇
Wiswesser Line NotationQX1&1&XQ1&1
LabNetwork Molecule IDLN00222105
InChIInChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3
Canonical SMILESCC(O)(C)C(O)(C)C
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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

  • 用于合成频哪酮、二甲基丁二烯等。

相关文献及参考

  • Short: II/27B
  • Short: IV/18B
  • Merck: 14,7439 Beilstein:1,487
  • Merck: 14,7439

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H228 Flammable solid 易燃固体
  • H303 May be harmfully swallowed 吞食可能有害
  • H315 Causes skin irritation 会刺激皮肤
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
RTECSEK1720000
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。
  • 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。
  • 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。
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
  • 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
Signal word
Safety Statements
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
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
  • R11 Highly flammable 非常易燃
  • R38 Irritating to skin 刺激皮肤
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupII
UN Number
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3380 mg/kg
TOXIC EFFECTS :
   Behavioral - anticonvulsant
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,841,1976

其他信息

  • Sigma Aldrich:76-09-5(sigmaaldrich)
  • 方法一:由丙酮还原而得。将镁屑投入工业苯中,加热回流,将丙酮与氯化汞配成的溶液缓缓加入,反应2h后,加水水解1h。反应毕,冷却过滤,回收苯,再加入水,则含结晶水的频哪醇结晶而出。将结晶加入工业苯脱水则成无水频哪醇,将频哪醇苯溶液蒸馏回收苯之后,再分馏收集170-175℃馏出物,即得频哪醇。
  • 毒性分级:中毒
  • 用途一:用作医药中间体
  • TCI Shanghai:频哪醇 Pinacol,>;95.0%(GC)(76-09-5)
  • MSDS 信息:2,3-Dimethyl-2,3-butanediol(76-09-5).msds
  • 储运特性:库房通风低温干燥
  • 下游产品:频哪酮 --> 3-码啉苯硼酸四甲基二酯 --> 2-(1-苯并噻吩-5-基)-4,4,5,5-四甲基-1,3,2-二氧硼烷 --> 联硼酸频那醇酯 --> 1-甲基-1H-吡唑-5-硼酸频哪醇酯 --> 苯基磺酰胺-4-硼酸 --> 1-甲基-4-(4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷-2-基)-1H-吡唑 --> 频那醇硼烷 --> 4-羧基苯硼酸频那醇酯 --> 异丙烯基硼酸频哪醇酯 --> 2,3-二甲基-1,3-丁二烯
  • Alfa Aesar:无水凤梨醇,99% Pinacol, anhydrous, 99%(76-09-5)
  • F:3
  • 类别:易燃液体
  • 灭火剂:干粉、泡沫、砂土、水
  • Acros Organics:2,3-二甲基-2,3-丁二醇 Pinacol, 99%(76-09-5)
  • 敏感性:Hygroscopic
  • 频哪醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0691 频哪醇 Pinacol 25G 169元 2014/06/02 D0691 频哪醇 Pinacol 500G 1490元 2010/06/21 418002500 频哪醇 Pinacol 99% 250 GR 2202元
  • 可燃性危险特性:易燃; 燃烧产生刺激烟雾
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 中度
  • 图谱信息:频哪醇(76-09-5)核磁图( 1 HNMR) 频哪醇(76-09-5)质谱(MS) 频哪醇(76-09-5)红外图谱(IR2) 频哪醇(76-09-5)核磁图( 13 CNMR) 频哪醇(76-09-5)红外图谱(IR1) 频哪醇(76-09-5)红外图谱(IR3)
  • MOL 文件:76-09-5.mol
  • 用途二:用于合成频哪酮、二甲基丁二烯等。
  • 含6分子结晶水者为无色片状结晶,在醇或醚中结晶析出者为无色针状的无水物。易溶于热水、醇和醚,微溶于冷水和二硫化碳。
  • 急性毒性:口服- 小鼠 LD50: 3380 毫克/ 公斤
  • 上游原料:氯化汞

系列性分类


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