2,2-Dimethyl-1,3-propanediol 新戊二醇（NPG）

CAS 126-30-7 MFCD00004685

化学结构图

126-30-7
SMILES: CC(C)(CO)CO

化学属性

Mol. FormulaC5H12O2
Mol. Weight104.15
Density1.06
Flash Point103°C
TSCAYes
Boiling Point209°C at 760 mmHg
Melting Point123-127°C
Autoignition Point750 °F
Vapor Density3.6 (vs air)
Vapor Pressure<;0.8 mmHg ( 20 °C)
Solubility830 G/L (20 ºC)
Stability易吸潮
Appearance 白色结晶固体，无臭，具有吸湿性。 易溶于水、低级醇、低级酮、醚和芳烃化合物等。

别名和识别编码

Chemical Name2,2-Dimethyl-1,3-propanediol
Synonym 2,2-Dimethylpropane-1,3-diol {LY} 2,2-Dimethylpropane-1,3-diol {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {} {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {} {} {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {} {} {} {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,2-Dimethylpropane-1,3-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number126-30-7
PubChem Substance ID31344
EC Number204-781-0
Beilstein Registry Number605291
MDL NumberMFCD00004685
Reaxys-RN605291
Merck Number6458
Chemical Name Translation新戊二醇（NPG）
Wiswesser Line NotationQ1X1&1&1Q
LabNetwork Molecule IDLN00193376
InChIInChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3
Canonical SMILESOCC(C)(C)CO
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分类

  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols

产品应用

  • 增塑剂。有机合成。聚酯合成原料。

相关文献及参考

  • Used for protection of carbonyl groups as 4,4-dimethyl-1,3-dioxanes, often preferred to the more usual 1,3-dioxolanes due to easier separation and greater stability. For an example, see 2,3-Butanedione, A14217. For protection of carbonyl group of 4-bromo-2-propanone using p-toluenesulfonic acid in the presence of triethyl orthoformate, see: Org. Synth. Coll., 7, 59 (1990).
  • Merck: 14,6458
  • Merck: 14,6458 Beilstein:1,483

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
RTECSTY5775000
Precautionary statements
  • 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
  • P332+P313
  • P337+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 Danger
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37 Irritating to respiratory system 刺激呼吸道
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
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            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 39000 ppm/6H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KODAK* Kodak Company Reports.  (343 State St., Rochester, NY 14650)
   Volume(issue)/page/year: 21MAY1971

其他信息

  • 下游产品:甲酸钠 --> 三乙二醇二甲基丙烯酸酯 --> 不饱和聚酯树脂 --> 2-氰基-5-溴-苯硼酸新戊二醇环酯 --> 布洛芬 --> 异喹啉-4-硼酸-2,2-二甲基丙二醇-1,3环酯
  • 敏感性:Hygroscopic
  • TCI Shanghai:2,2-二甲基-1,3-丙二醇 2,2-Dimethyl-1,3-propanediol,>;98.0%(GC)(126-30-7)
  • 方法一:1.甲酸钠法　异丁醛与甲醛在30-35℃、pH值9-11、碱催化剂存在下缩合生成羟基叔丁醛，与过量甲醛在强碱条件下还原成新戊二醇，甲醛则被氧化，并与碱作用生成甲酸钠。反应液用甲酸中和，减压蒸馏脱水，浓缩液经分层萃取，除去甲酸钠后，冷却、结晶、分离，得成品。2.加氢法　由异丁醛和甲醛经缩合，得羟基新戊醛，再经加氢还原而得。
  • Alfa Aesar:2,2-二甲基-1,3-丙烷二醇,99% 2,2-Dimethyl-1,3-propanediol, 99%(126-30-7)
  • 蒸气压:<;0.8 mm Hg ( 20 °C)
  • F:3
  • 防护措施:低毒。大鼠经口LD50≥6400mg/kg。小鼠经口LD50为3200～6400mg/kg。对皮肤刺激性小。但大量饮用会刺激中枢神经，引起呕吐、疲倦、昏睡、呼吸困难、震颤、肾脏充血和出血、肝脏脂肪病变、闭尿、支气管炎和肺炎等症状，严重者甚至导致死亡。
  • 常规方法:采用镀锌铁桶包装，每桶25kg。贮存于阴凉、通风处，防晒、防热、防潮。按一般化学品规定贮运。
  • MOL 文件:126-30-7.mol
  • Acros Organics:2,2-二甲基-1,3-丙二醇/新戊二醇 2,2-Dimethyl-1,3-propanediol, 97%(126-30-7)
  • Sigma Aldrich:126-30-7(sigmaaldrich)
  • 图谱信息:2,2-二甲基-1,3-丙二醇(126-30-7)红外图谱(IR2) 2,2-二甲基-1,3-丙二醇(126-30-7)红外图谱(IR1) 2,2-二甲基-1,3-丙二醇(126-30-7)质谱(MS) 2,2-二甲基-1,3-丙二醇(126-30-7)核磁图( 13 CNMR)
  • 用途三:增塑剂。有机合成。聚酯合成原料。
  • 2,2-二甲基-1,3-丙二醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30071461 新戊二醇 100g 48.8元 2011/04/16 D0791 2,2-二甲基-1,3-丙二醇 2,2-Dimethyl-1,3-propanediol 25G 150元 2011/04/16 D0791 2,2-二甲基-1,3-丙二醇 2,2-Dimethyl-1,3-propanediol 500G 275元
  • 无臭，具有吸湿性。对湿敏感。易溶于水、低级醇、低级酮、醚和芳烃化合物等。水中溶解度为65%(w/w)。升华温度210℃。有刺激性。
  • 用途一:主要用于制造树脂、增塑剂和表面活性剂
  • 上游原料:异丁醛 --> 甲酸钠 --> 特戊醛
  • 用途二:新戊二醇的用途很广，主要作为生产不饱和聚酯树脂、无油醇酸树脂、聚氨酯泡沫塑料和弹性体的增塑剂，高级润滑油的添加剂及其他精细化学品。新戊二醇是优良的溶剂，可用于芳烃和环烷基碳氢化合物的选择分离。新戊二醇具有耐水、耐化学药品、耐候性。其氨基烘漆具有良好的保光性并且不泛黄。还可用作生产阻聚剂、稳定剂、杀虫剂的原料。
  • 蒸气密度:3.6 (vs air)

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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