(±)-1,2,4-Butanetriol (±)-1,2,4-丁三醇

CAS 3068-00-6 MFCD00002929

化学结构图

3068-00-6
SMILES: OCCC(O)CO

化学属性

Mol. FormulaC4H10O3
Mol. Weight106.12
Refractive index1.4710 to 1.4760
Boiling Point190-191 °C at 18 mmHg
Density1.19
Flash Point188°C(lit.)
TSCAYes
Melting Point-20°C
Stability易吸潮
Appearance 无色糖浆液体。沸点312℃，190-191℃（2.39kPa），相对密度1.184（20/4℃），折光率1.478。能与水、醇混溶。无气味，有吸湿性，有甜焦味。
Solubility能与水和醇混溶。

别名和识别编码

Chemical Name(±)-1,2,4-Butanetriol
CAS Number3068-00-6
PubChem Substance ID18302
EC Number221-323-5
Beilstein Registry Number1733456
MDL NumberMFCD00002929
Reaxys-RN1719409
Synonym Butane-1,2,4-triol {LY} Butane-1,2,4-triol {} {LY} Butane-1,2,4-triol {} {} {LY} Butane-1,2,4-triol {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {} {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {} {} {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butane-1,2,4-triol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation(±)-1,2,4-丁三醇
InChIKeyARXKVVRQIIOZGF-UHFFFAOYSA-N
LabNetwork Molecule IDLN00008508
InChIInChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2
Canonical SMILESOCC(O)CCO
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分类

  • {uni_hamburg} no charge; alcohol; racemate; 1fragment
  • 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

  • 多种药物制备的关键中间体
  • 烟草助剂，减少焦油成分的危害
  • 照相显影液组分，增加色彩度和粘着力
  • 高级墨水的防干剂
  • 高级服装的表面处理剂
  • 陶瓷加工助剂
  • 高分子材料的交联剂
  • 特殊用途

相关文献及参考

  • Short: IV/8G
  • Short: EINECS
  • Beilstein:1,519
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
RTECSEK7176000
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
Signal word
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 23 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 93,152,1953

其他信息

  • 图谱信息:1,2,4-丁三醇(3068-00-6)质谱(MS) 1,2,4-丁三醇(3068-00-6)红外图谱(IR1)
  • 用途三:多种药物制备的关键中间体 烟草助剂，减少焦油成分的危害 照相显影液组分，增加色彩度和粘着力 高级墨水的防干剂 高级服装的表面处理剂 陶瓷加工助剂 高分子材料的交联剂 特殊用途
  • MOL 文件:3068-00-6.mol
  • 用途二:与甘油相似，可作溶剂，湿润剂和医药、炸药的中间体。但由于在价格上难以与甘油竞争，影响了这一产品的发展。
  • Sigma Aldrich:3068-00-6(sigmaaldrich)
  • 是一种易吸湿的多元醇，纯净的丁三淳是无色、透明、粘稠液体，一般产品往往呈黄色，甚至棕黄色，没有毒性。能与水、醇混溶。无气味，有吸湿性，有甜焦味。
  • 方法一:由1,4-丁炔二醇以汞盐催化水合为1,4-二羟基-2-丁酮，再在硫化钼或雷尼镍存在下加氢而得。1.水合将丁炔二醇和水加入反应锅，搅拌下加入硫酸汞，再慢慢加入硫酸，于30-35℃反应60h。反应结束后用碳酸钙中和至pH7，搅拌半小时。滤去硫酸钙沉淀，水洗滤渣，洗滤液合并浓缩，得1,4-二羟基-2-丁酮（浓缩液）。1,4-二羟基-2-丁酮1,4-Dihydroxy-2-butanoneC4H8O3[140-80-3]沸点108-110℃（66.7Pa）2.加氢将1,4-二羟基-2-丁酮浓缩液加入高压釜，加乙醇和雷尼镍，密闭，置换空气后，在60℃、3-4.9MPa加氢反应，当吸氢变慢后，升温至100℃继续反应到不再吸氢。冷却至50℃以下出料，过滤。滤液常压回收乙醇后，减压蒸馏，收集155-165℃（0.133-0.267kPa），馏分，即得1,2,4-丁三醇。
  • 敏感性:Hygroscopic
  • MSDS 信息:Butane-1,2,4-triol(3068-00-6).msds
  • Acros Organics:1,2,4-丁三醇 1,2,4-Butanetriol, 95%(3068-00-6)
  • 上游原料:镍 --> 碳酸钙 --> 二硫化钼 --> 丁炔二醇 --> 硫酸汞 --> 1,4-二羟基-2-丁酮
  • 用途一:用途与甘油相似，可用作湿润剂、溶剂和生产医药、炸药的中间体
  • 1,2,4-丁三醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 A1904002 1,2,4-丁三醇;1,2,4-三羟基丁烷 100ml 1912元 2010/06/21 107680250 1,2,4-丁三醇 1,2,4-Butanetriol 95% 25 GR 494元 2010/06/21 107681000 1,2,4-丁三醇 1,2,4-Butanetriol 95% 100 GR 1579元
  • Alfa Aesar:1，2，4-丁三醇,96% 1,2,4-Butanetriol, 96%(3068-00-6)

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. 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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