3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one DL-泛酰内酯

CAS 79-50-5 MFCD00064333

化学结构图

79-50-5
SMILES: CC1(C)COC(=O)C1O

化学属性

Mol. FormulaC6H10O3
Mol. Weight130.14
Melting Point74-78°C
Appearance 潮解性柱状结晶。熔点80℃，沸点130℃（2.4kPa）。易溶于水，溶于醇、醚、苯、氯仿和二硫化碳。
Boiling Point224.6°C at 760 mmHg

别名和识别编码

Chemical Name3-Hydroxy-4,4-dimethyldihydrofuran-2(3H)-one
Synonym DL-Pantolactone {LY} DL-Pantolactone {} {LY} DL-Pantolactone {} {} {LY} DL-Pantolactone {} {} {} {LY} DL-Pantolactone {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {} {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DL-Pantolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
MDL NumberMFCD00064333
CAS Number79-50-5
PubChem Substance ID87574293
Beilstein Registry Number80958
EC Number201-210-7
Alfabeta NameHYDROXYDIMETHYLDIHYDROFURANONE H34423()-----,
Chemical Name TranslationDL-泛酰内酯
Reaxys-RN80958
LabNetwork Molecule IDLN00185622
InChIInChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3
Canonical SMILESO=C1OCC(C)(C)C1O
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分类

  • {SNA} Building Blocks, Carbonyl Compounds, Chemical Synthesis, Lactones, Organic Building Blocks

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Warnings IRRITANT
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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
GHS Symbol
Signal word Warning
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
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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+P352
  • P305+P351+P338
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途二:该品为泛酸的中间体，也用于其他有机合成。
  • 用途一:用作医药中间体及化妆品的原料
  • MSDS 信息:DL-alpha-Hydroxy-beta,beta-dimethyl-gamma-butyrolactone(79-50-5).msds
  • Sigma Aldrich:79-50-5(sigmaaldrich)
  • MOL 文件:79-50-5.mol
  • 图谱信息:DL-泛酰内酯(79-50-5)红外图谱(IR3) DL-泛酰内酯(79-50-5)核磁图( 13 CNMR) DL-泛酰内酯(79-50-5)红外图谱(IR1) DL-泛酰内酯(79-50-5)质谱(MS) DL-泛酰内酯(79-50-5)核磁图( 1 HNMR) DL-泛酰内酯(79-50-5)红外图谱(IR2)
  • 方法一:由异丁醛制得2,2-二甲基-3-羟基丙醛后，与氰化钠加成，再经水解酸化、内酯化而得。将2,2-二甲基-3-羟基丙醛溶解于水，投入反应锅，再投入氰化钠水溶液及氯化钙水溶液。搅匀后加入50%的硫酸溶液。反应产生剧毒的氰化氢尾气，用硫酸亚铁溶液吸收。于60-65℃反应6h后，升温至80-85℃反应3h，减压浓缩，加95%乙醇使无机盐沉淀。过滤，滤液减压回收乙醇后进行分馏，收集130-145℃（1.33-2.44kPa）馏分，得DL-泛酰内酯。
  • 上游原料:乙醇 --> 盐酸 --> 甲醇 --> 丙酮 --> 甲醛 --> 发烟硫酸 --> 氰化钠 --> 氰化钾 --> 异丁醛 --> 氢氰酸 --> 2,2-二甲基-3-羟基丙醛
  • F:3-10-21
  • DL-泛酰内酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0010 DL-泛酰内酯 DL-Pantolactone 500G 680元 2014/06/02 P0010 DL-泛酰内酯 DL-Pantolactone 25G 90元
  • TCI Shanghai:DL-泛酰内酯 DL-Pantolactone,>;93.0%(GC)(79-50-5)

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. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Lactones - Carbonyl Compounds

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