3-Methyl-3-buten-2-one 3-甲基-3-丁烯-2-酮

CAS 814-78-8 MFCD00059207

化学结构图

814-78-8
SMILES: C=C(C)C(C)=O

化学属性

Mol. FormulaC5H8O
Mol. Weight84.12
Refractive index1.4210 to 1.4250
Density0.86
Flash Point9°C(lit.)
Melting Point-54°C
Boiling Point100°C(lit.)
Solubility微溶于水,易溶于多数有机溶剂。
Stability对光敏感

别名和识别编码

Chemical Name3-Methyl-3-Buten-2-One
MDL NumberMFCD00059207
CAS Number814-78-8
Reaxys-RN1071241
Beilstein Registry Number1(4)3462
PubChem Substance ID13143
Synonym 2-Methyl-1-buten-3-one 2-Methyl-1-butene-3-one 2-methyl-1-buten-3-one[qr] 2-methyl-1-butene-3-one 2-methyl-1-butene-3-one[qr] 2-甲基-1-丁烯-3-酮 3- Methyl-3- butene-2- one (methyl isopropenyl ketone) 3-Buten-2-one, 3-methyl- 3-Buten-2-one,3-methyl- 3-METHYL-3-BUTEN-2-ONE 3-Methyl-3-buten-2-on 3-Methyl-3-buten-2-one 3-Methyl-3-buten-2-one (Stabilized in HQ) (~90%) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number212-405-1
Chemical Name Translation3-甲基-3-丁烯-2-酮
Wiswesser Line Notation1VY1&U1
LabNetwork Molecule IDLN00225832
InChIInChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
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分类

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

产品应用

  • 医药中间体。

相关文献及参考

  • Beilstein:1(4)3462
  • Short: II/5
  • Short: III/35E
  • Short: III/38B

安全信息

RTECSEN0175000
UN Number 1246
Signal word Danger
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。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P301+P316
  • P302+P350
  • P302+P352
  • P302+P352+P310+P361+P364
  • P303+P361+P353
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P307+P311
  • P308+P311
  • P308+P316
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医,如果你觉得不舒服
  • P316
  • P317
  • P319
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗(见本标签上的)。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P322 Specific measures (see …on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • 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+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition +4°C 2-8℃密封避光保存 4 4℃ <0°C <;0 Freezer
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H301 Toxic if swallowed 吞食有毒
  • H310 Fatal in contact with skin 皮肤接触致命
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H330 Fatal if inhaled 吸入致命
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Packing GroupII
Safety Statements
  • S33 Take precautionary measures against static discharges 对静电采取预防措施;
  • 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;
  • S29 Do not empty into drains 不要排入下水道;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • 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;
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Risk Statements
  • R11 Highly flammable 非常易燃
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R27 Very toxic in contact with skin 与皮肤接触极毒
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
Hazard Class3
GHS Symbol
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 125 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 230 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 4,119,1951

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 490 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZolH## Personal Communication from H. Zollner, Institut fur Biochemie, Der
   Universitat, Gras, Oct. 23, 1975  Volume(issue)/page/year: 23OCT1975

WGK Germany3
Hazard Codes F,T+

其他信息

  • MOL 文件:814-78-8.mol
  • NIST化学物质信息:3-Buten-2-one, 3-methyl-(814-78-8)
  • 图谱信息:3-甲基-3-丁烯-2-酮(814-78-8)Raman光谱 3-甲基-3-丁烯-2-酮(814-78-8)核磁图( 13 CNMR) 3-甲基-3-丁烯-2-酮(814-78-8)核磁图( 1 HNMR)
  • 3-甲基-3-丁烯-2-酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0378 3-甲基-3-丁烯-2-酮(含稳定剂HQ) 3-Methyl-3-buten-2-one (stabilized with HQ) 25ML 1730元
  • PackingGroup:II
  • 毒害物质数据:814-78-8(Hazardous Substances Data)
  • HazardClass:3.1
  • EPA化学物质信息:3-Buten-2-one, 3-methyl-(814-78-8)
  • RTECS号:EN0175000
  • 外观性质:无色、透明液体,有一种辛辣的气味。

系列性分类


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