Pinacolone 3,3-二甲基-2-丁酮

CAS 75-97-8 MFCD00008846

化学结构图

75-97-8
SMILES: CC(=O)C(C)(C)C

化学属性

Mol. FormulaC6H12O
Mol. Weight100.16
Refractive index1.3970
Boiling Point105-106°
Density0.803
Flash Point23.89°C
TSCAYes
Melting Point-53°
Solubility2.44 G/100 ML (15 ºC)
pH:A

别名和识别编码

Chemical NamePinacolone
Synonym Pinacolone {LY} Pinacolone pinacolone {} {LY} Pinacolone {} {} {LY} Pinacolone {} {} {} {LY} Pinacolone {} {} {} {} {LY} Pinacolone {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pinacolone {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID6416
EC Number200-920-4
Beilstein Registry Number1209331
MDL NumberMFCD00008846
CAS Number75-97-8
Merck Number14,7440
Chemical Name Translation3,3-二甲基-2-丁酮
Wiswesser Line Notation1X1&1&V1
InChIInChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
Canonical SMILESCC(C)(C)C(C)=O
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分类

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

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of n

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSEL7700000
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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P301+P312
  • P301+P317
  • P302+P352
  • P303+P361+P353
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • 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。
  • P317
  • P319
  • P321 Specific treatment (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
  • 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+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Packing GroupII
UN Number UN 1224 3/PG 2 UN1224 1224
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R11 Highly flammable 非常易燃
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S20/21 When using do not eat, drink or smoke 使用时,不得进食,饮水或吸烟;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
  • S29 Do not empty into drains 不要排入下水道;
  • S33 Take precautionary measures against static discharges 对静电采取预防措施;
Hazard Codes F,Xn F,Xn,Xi F;Xn
Hazard Class3
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Restrict 危险品 {} 监控化学品
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           : 610 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 52(12),91,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1625 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 52(12),91,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 52(12),91,1987

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5700 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 52(12),91,1987

其他信息

  • 职业标准:STEL 20 毫克/ 立方米
  • 毒性分级:中毒
  • 上游原料:异戊醇 --> 2-甲基-2-丁醇 --> 频哪醇 --> 3-甲基-1-丁烯 --> 1,3-二噁烷
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 方法一:1.丙酮法 丙酮先还原成频哪醇,再在酸性介质中脱水重排而得。2.异戊醇法 异戊醇高温脱水生成异戊烯,异戊烯和甲醛在无机酸存在下反应而得。3.叔戊醇法 叔戊醇在盐酸中与甲醛缩合、异构化重排而得。另外,由4,4,5-三甲基-1,3-二噁烷,用稀无机酸或强有机酸沸腾处理也可得到颇哪酮。
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • MSDS 信息:甲基叔丁基(甲)酮(75-97-8).msds
  • 类别:易燃液体
  • Alfa Aesar:频哪酮,97% Pinacolone, 97%(75-97-8)
  • 急性毒性:口服- 大鼠 LD50: 610 毫克/ 公斤; 口服- 小鼠 LD50: 1625 毫克/ 公斤
  • 海关编码:29141990
  • Acros Organics:频哪酮 Pinacolone,96%(75-97-8)
  • Hazard Note:Irritant/Highly Flammable
  • 下游产品:三唑酮 --> 3-叔丁基-1-甲基-1H-吡唑-5-羰酰氯 --> 多效唑 --> 4-叔丁基-6-三氟甲基-2-嘧啶胺 --> 5-叔丁基-2-甲基呋喃-3-碳酰氯 --> 3-(叔丁基)1-甲基-1H-吡唑-5-羧酸 --> 嗪草酮 --> 3-氨基-5-叔丁基噻吩-2-甲酰胺 --> 2,2,6,6-四甲基-3,5-庚二酮 --> 苄氯三唑醇 --> 多效唑可湿性粉剂 --> 联苯三唑醇 --> 烯效唑 --> 抑芽唑 --> 3-叔丁基-1H-吡唑-5-甲酰胺 --> 1-溴频哪酮 --> 5-(叔丁基)-2H-吡唑-3-甲酸乙酯 --> 3-(叔丁基)-1H-吡唑-5-甲酰肼 --> 戊唑醇
  • Sigma Aldrich:75-97-8(sigmaaldrich)
  • MOL 文件:75-97-8.mol
  • 用途二:该品用作溶剂和萃取剂。也可用于有机合成。与次氯酸反应可生成三甲基乙酸;与碱性高锰酸钾水溶液反应,被氧化成三甲基丙酮酸;与醛、酮、乙酸酐都容易发生缩合反应。用于生产农药杀菌剂苄氯三唑醇、三唑酮、三唑醇、双苯三唑酮、烯唑酮、辛唑酮;以及植物生长调节剂多效唑、烯效唑、抑芽唑、缩株唑、甲基抑霉唑等。也用于生产除草剂及医药产品。
  • 频哪酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 131250050 频哪酮 Pinacolone 96% 5 ML 249元 2010/06/21 131255000 频哪酮 Pinacolone 96% 500 ML 1491元 2010/06/21 131251000 频哪酮 Pinacolone 96% 100 ML 417元
  • 用途一:主要用于生产三唑类农药,如三唑酮、多效唑、烯效唑、嗪草酮等
  • 外观性质:无色液体。
  • 图谱信息:频哪酮(75-97-8)核磁图( 13 CNMR) 频哪酮(75-97-8)红外图谱(IR2) 频哪酮(75-97-8)质谱(MS) 频哪酮(75-97-8)Raman光谱 频哪酮(75-97-8)红外图谱(IR1)
  • 可燃性危险特性:遇明火、高温、氧化剂较易燃; 燃烧产生刺激烟雾

系列性分类


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