3-Hydroxy-2-Butanone, Monomer+Dimer 3-羟基-2-丁酮

CAS 513-86-0 MFCD00004521

化学结构图

513-86-0
SMILES: CC(=O)C(C)O

化学属性

Mol. FormulaC4H8O2
Mol. Weight88.11
Refractive indexn20/D 1.417(lit.)
Boiling Point148
Density1.013
Melting Point15
Flash Point50.56°C
Solubility可溶

别名和识别编码

Chemical Name3-Hydroxy-2-Butanone, Monomer+Dimer
Synonym Acetoin Acetoin (~90%) {} {} {} {} { {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} Methanol, acetylmethyl- {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} FEMA 2008 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} DL-Acetoin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} Acetylmethylcarbinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} Acetyl-methylcarbinol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemblink} Acetyl methyl carbinol; Acetoin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {JNK} Acetyl methyl ca
CAS Number513-86-0
PubChem Substance ID179
EC Number208-174-1
Beilstein Registry Number385636
MDL NumberMFCD00004521
Reaxys-RN385636
Merck Number64
Chemical Name Translation3-羟基-2-丁酮
Wiswesser Line NotationQY1&V1
LabNetwork Molecule IDLN00225902
InChIInChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
Canonical SMILESCC(C(O)C)=O
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分类

  • {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Nutrition Research, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Vaccinium myrtillus (Bilberry), 细胞生物学
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料
  • {SNA} A - D, A-B,

产品应用

  • 用于制作香精和香料。

相关文献及参考

  • Merck: 14,64
  • Merck: 14,64 Beilstein:1,827
  • Short: II/27B
  • Short: III/35C1

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H228 Flammable solid 易燃固体
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes 3
RTECSEL8790000
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。
  • P241+P242+P243
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R10 Flammable 易燃
  • R11 Highly flammable 非常易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
UN Number 1325 2621
Storage condition +4°C 2-8°C {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {
Packing GroupIII
Hazard Class3
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,509,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,509,1979

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 14 gm/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,509,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 12600 mg/kg
SEX/DURATION            : male 42 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 10,131,1972

Restrict 危险品

其他信息

  • FEMA:2008
  • 图谱信息:3-羟基-2-丁酮(513-86-0)核磁图( 13 CNMR) 3-羟基-2-丁酮(513-86-0)核磁图( 1 HNMR) 3-羟基-2
  • 易挥发。与水混溶，可混溶于乙醇，微溶于醚、石油醚。
  • 急性毒性:口服- 大鼠 LD50: >;5000 毫克/ 公斤
  • MOL 文件:513-86-0.mol
  • 用途二:GB 2760--1996规定为允许使用的食用香料。主要用于配制奶油、乳品、酸奶和草莓等型香精。
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃; 加热分解释放刺激烟雾
  • 用途三:该品呈牛奶香气，我国GB2760-86规定为允许使用的食用香料。主要用于配
  • 海关编码:29144090
  • 外观性质:微黄色液体或结晶性固体, 易挥发。
  • 易挥发。与水混溶，可混溶于乙醇，微溶于醚、石油醚。可能以晶形二聚体存在。
  • TCI Shanghai:乙偶姻(可能以晶形二聚体存在) Acetoin (May
  • 3-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 AA1795102 3-羟基-2-丁酮;乙酰甲基甲醇;乙酰基乙醇;乙偶姻 50g 522元 2011/08/23 K0054001 3-羟基-2-丁酮98％ 50g 480元 2011/04/16 H0225 乙偶姻(可能以晶形二聚体存在) Acetoin (May exist as crystalline dimer) 500G 2480元
  • Sigma Aldrich:513-86-0(sigmaaldrich)
  • 易挥发。与水混溶，可混溶于乙醇，微溶于醚、石油醚。 可能以晶形二聚体存在。
  • 参考质量标准:FCC，1996；FAO/WHO，1998 含量 ≥96.0% 折射率(n D 20 ) 1.417～1.420 相对密度(d 25 25 ) 1.005～1.019
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 中度
  • 类别:可燃物品
  • 含量分析:用气相色谱法(GT-10)测定。采用热导检测器。柱长1.5m，内径6.35mm，内装20%聚乙二醇20M(Carbowax 20M)载于酸洗过的60/80目硅藻土载体上，或其他能分离双乙酰、水和甲基乙酰原醇的组分。测定时采用下列条件：试样2μg；进样温度约195℃；柱温约130℃，检测器约230℃；载气氦的流量约为每分钟35ml。平均滞留时间：双乙酰为2min 15S，水为3min，甲基乙酰原醇为12Min。所得甲基乙酰原醇的峰面积不得少于所有各峰总面积的96.0%。
  • 使用限量:FEMA(mg.kg)：软饮料7.4；冷饮3.3；糖果
  • 毒性分级:低毒
  • 上游原料:氯 --> 2,3-丁二酮 --> 2,3-丁二醇 --> 2,3-丁二醇
  • 方法一:由二乙酰还原而得。
  • MSDS 信息:3-羟基-2-丁酮(513-86-0).msds
  • Alfa Aesar:3-羟基-2-丁酮,monomer+dimer,97% 3-Hydroxy-2-butanone, monomer + dimer, 97%(513-86-0)
  • 用途一:可用于制取2,3-丁二酮，用于配制奶油、乳品、酸奶和草莓等型香料
  • 灭火剂:泡沫、干粉、二氧化碳、雾状水、砂土
  • 毒性:GRAS(FEMA；FDA，§182．60，2000)。 LD 50 12.6g/kg(42天，雄大鼠，经口)。
  • Acros Organics:3-羟基-2-丁酮 Acetyl methyl carbinol, 85 wt. % solution in water(513-86-0)
  • 储运特性:包装完整、轻装轻卸; 库房通风、远离明火、高温、与氧化剂分开存放

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Certified Food Grade Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Halal Certified Products - Flavors and Fragrances
  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
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Air Monitoring Standards - Chromatography
  5. General Use - Air Monitoring Standards
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Nutraceuticals - Food & Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. A-F - Flavors and Fragrances
  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 酮
  6. C15 to C38

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