4-Hydroxy-2-butanone 4-羟基-2-丁酮

CAS 590-90-9 MFCD00059005

化学结构图

590-90-9
SMILES: CC(=O)CCO

化学属性

Mol. FormulaC4H8O2
Mol. Weight88.11
Refractive index1.4270 to 1.4310
Boiling Point73-76°C at 12 mmHg
Density1.023
Flash Point89°C(lit.)
TSCAYes
Melting Point15 °C

别名和识别编码

Chemical Name4-Hydroxy-2-?butanone
Synonym 4-Hydroxybutan-2-one {LY} 4-Hydroxybutan-2-one 4-hydroxy-2-butanone 4H2B compound {} {LY} 4-Hydroxybutan-2-one {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxybutan-2-one {} {} {} {} {} {} {} {} {} {} {}
CAS Number590-90-9
PubChem Substance ID111509
EC Number209-693-6
MDL NumberMFCD00059005
Reaxys-RN1737666
Beilstein Registry Number1737666
Chemical Name Translation4-羟基-2-丁酮
LabNetwork Molecule IDLN00117876
InChIInChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3
Canonical SMILESCC(CCO)=O
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分类

  • {uni_hamburg} no charge; ketone; alcohol; 1fragment
  • {SA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 对动物生长有促进作用，是一种安全化合物。本品因在分子内同时具有羟基和碳酰基，遇酸易脱水生成甲基乙烯甲酮，这种酮可用作医药、农药的原料；本品的衍生物因有碳酰基，可用作特殊溶剂；本品与芳烃反应，可生成4-苯基-2-丁酮的衍生物，是抗氧剂、香料等的原料。

相关文献及参考

  • Short: II/27B
  • 5. J. Org. Chem. 47 , 929, (1982)
  • Beil. 1 ,421
  • Beilstein:1,421
  • Short: EINECS

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H227 Combustible liquid 可燃液体
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Signal word Warning
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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P264+P265
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P317
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P333+P313
  • P333+P317
  • 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
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Risk Statements
  • R10 Flammable 易燃
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
UN Number 1993
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 GroupIII
Hazard Codes 3

其他信息

  • 图谱信息:4-羟基-2-丁酮(590-90-9)质谱(MS) 4-羟基-2-丁酮(590-90-9)红外图谱(IR1) 4-羟基-2-丁酮(590-90-9)Raman光谱 4-羟基-2-丁酮(590-90-9)核磁图( 13 CNMR) 4-羟基-2-丁酮(590-90-9)核磁图( 1 HNMR)
  • 用途一:医药中间体。
  • 4-羟基-2-丁酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 L1145601 4-羟基-2-丁酮, 95% 25g 421元 2011/04/16 H0584 4-羟基-2-丁酮 4-Hydroxy-2-butanone 500ML 1310元 2011/04/16 H0584 4-羟基-2-丁酮 4-Hydroxy-2-butanone 25ML 208元
  • 外观性质:与水、乙醇、乙醚、丙酮混溶。该品存在于烟草的烟中。沸点：73-76 °C/12 mmHg密度：1.023 闪点：33 °C折光率n20/D：1.430
  • 上游原料:盐酸 --> 碳酸钾 --> 丙酮 --> 甲醛 --> 多聚甲醛 --> 丁烯酮 --> 视黄醇
  • MOL 文件:590-90-9.mol
  • 用途二:对动物生长有促进作用，是一种安全化合物。本品因在分子内同时具有羟基和碳酰基，遇酸易脱水生成甲基乙烯甲酮，这种酮可用作医药、农药的原料；本品的衍生物因有碳酰基，可用作特殊溶剂；本品与芳烃反应，可生成4-苯基-2-丁酮的衍生物，是抗氧剂、香料等的原料。
  • 与水、乙醇、乙醚、丙酮混溶。该品存在于烟草的烟中。
  • 方法一:由丙酮和甲醛反应而得。将甲醛溶液与丙酮按1：30（重量）混合，送入管道反应器，温度51-53℃，停留时间3-4min。在维生素A的中间体甲基乙烯酮的生产中，生成的4-羟基-2-丁酮反应液直接用于下道工序，用草酸脱水得至甲基乙烯酮。
  • 下游产品:丁烯酮
  • Sigma Aldrich:590-90-9(sigmaaldrich)
  • TCI Shanghai:4-羟基-2-丁酮 4-Hydroxy-2-butanone,>;95.0%(GC)(590-90-9)
  • Alfa Aesar:4-羟基-2-丁酮,95% 4-Hydroxy-2-butanone, 95%(590-90-9)

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. Ketones - 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. Ketones - Carbonyl Compounds
  6. C3 to C6 - Ketones

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