3-Pentanone 3-戊酮

CAS 96-22-0 MFCD00009320

化学结构图

96-22-0
SMILES: CCC(=O)CC

化学属性

Mol. FormulaC5H10O
Mol. Weight86
Refractive index1.3900 to 1.3930
Boiling Point102
Density0.813
Melting Point-42
Flash Point13°C(lit.)
TSCAYes
Autoignition Point845 °F
Vapor Density3 (vs air)
Vapor Pressure20 mmHg ( 28 °C)
Solubility50 G/L (20 ºC)

别名和识别编码

Chemical Name3-Pentanone
Synonym (C2H5)2CO 3-戊酮 3-戊酮,99% Diathylketon Diethyl ketone Diethylketone ETHYL KETONE Ethyl propionyl diethylcetone(french)
CAS Number96-22-0
PubChem Substance ID7288
EC Number202-490-3
Beilstein Registry Number635749
MDL NumberMFCD00009320
Reaxys-RN635749
Merck Number3121
Chemical Name Translation3-戊酮
Wiswesser Line Notation2V2
LabNetwork Molecule IDLN00193045
InChIInChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
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分类

  • {uni_hamburg} no charge; ketone; 1fragment
  • Amber Glass Bottles, Reagent,
  • {SNA} ReagentPlus,
  • {SA} Amber Glass Bottles, Reagent, Solvent Bottles, Solvent Packaging Options, Solvents
  • {SNA} Amber Glass Bottles, Reagent, Solvent Bottles, Solvent Packaging Options, Solvents
  • {Chemicalbook} 农药中间体: 除草剂中间体: 二硝基苯胺类除草剂
  • {SNA} Amber Glass Bottles, Chromatography Reagents & Solvents, HPLC, HPLC & UHPLC Solvents, HPLC Grade Solvents, HPLC/UHPLC Solvents, Solvent Bottles, Solvent Packaging Options, Solvent by Application, Solvents, 分析/色谱, 分析试剂
  • {SNA} Alphabetical Listings, Flavors and Fragrances, O-P

产品应用

  • 用作溶剂、药物中间体、化学试剂及有机合成原料。

相关文献及参考

  • Short: II/27B
  • Merck: 14,3121
  • Short: II/2
  • Merck: 14,3121 Beilstein:1,679

安全信息

GHS Symbol
WGK Germany1
Hazard Codes 3 F;Xi
Hazard statements
  • H336 May cause drowsiness or dizziness 肯能导致嗜睡或头晕
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSSA8050000
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。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • 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。
  • 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。
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P307+P311
  • P332+P313
  • P337+P313
  • P370+P378
  • P403+P233
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S25 Avoid contact with eyes 避免眼睛接触;
  • S33 Take precautionary measures against static discharges 对静电采取预防措施;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
Risk Statements
  • 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
  • R37 Irritating to respiratory system 刺激呼吸道
  • R66 Repeated exposure may cause skin dryness or cracking 反复接触可能导致皮肤干燥或皴裂
  • R67 Vapours may cause drowsiness and dizziness 蒸汽可能导致嗜睡和昏厥
UN Number 1156 UN 1156 3/PG 2
Packing GroupII
Hazard Class3
Storage condition Flammables area 密封阴凉干燥保存。
Warnings 危化品目录(2015)
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 27,1,1945

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3100 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - ataxia
REFERENCE :
   MTPEEI Meditsina Truda i Promyshlennaya Ekologiya.  Industrial Medicine and
   Ecology. (Mezhdunarodnaya Kniga, ul.B. Yakimanka, 39 117049 Moscow, Russia)
   No.1-    1993-  Volume(issue)/page/year: (4),41,1997

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2140 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 4/25/1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 20 mL/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: 10,61,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : In

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 14800 ppm
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 149,339,1985

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 14800 ppm
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 149,339,1985

Restrict 危险品

其他信息

  • Sigma Aldrich:96-22-0(sigmaaldrich)
  • 毒性分级:中毒
  • Acros Organics:3-戊酮 3-Pentanone, 98%(96-22-0)
  • 方法一:其制备方法是由3-戊醇氧化而得,常用重铬酸钠在硫酸存在下氧化,氧化温度90℃,反应完成后,经蒸馏而得成品。
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 蒸气压:20 mm Hg ( 28 °C)
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 爆炸物危险特性:与空气混合可爆
  • 有丙酮气味.溶于乙醇、乙醚、水。溶于约25份水中.易燃.低毒,半至死量(大鼠,经口)2100mg/kg。
  • 蒸气密度:3 (vs air)
  • 3-戊酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80097826 3-戊酮;二乙基酮; 二甲基丙酮 100ml 101.1元 2011/04/16 P0061 3-戊酮 3-Pentanone 25ML 117元 2011/04/16 P0061 3-戊酮 3-Pentanone 500ML 356元
  • 下游产品:3-乙基-3-戊醇 --> 5-乙基-6-甲基噻吩[2,3-D]嘧啶-4(3H)-酮 --> 二苯乙烯酮 --> 2,3,6-三甲基苯酚 --> 2-氨基-2-乙基丁酸
  • 图谱信息:3-戊酮(96-22-0)核磁图( 1 HNMR) 3-戊酮(96-22-0)质谱(MS) 3-戊酮(96-22-0)红外图谱(IR2) 3-戊酮(96-22-0)核磁图( 13 CNMR) 3-戊酮(96-22-0)红外图谱(IR1)
  • 外观性质:无色液体,有丙酮气味。
  • Alfa Aesar:3-戊酮,99% 3-Pentanone, 99%(96-22-0)
  • 类别:易燃液体
  • 上游原料:重铬酸钠 --> 101 --> 3-戊醇
  • MOL 文件:96-22-0.mol
  • 用途二:用作溶剂,也用于制药工业
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
  • 用途一:用作溶剂,也是药物合成的中间体
  • 用途四:用作溶剂、药物中间体、化学试剂及有机合成原料。
  • TCI Shanghai:3-戊酮 3-Pentanone,>;98.0%(GC)(96-22-0)
  • 职业标准:TWA 705 毫克/ 立方米
  • 急性毒性:口服- 大鼠 LD50: 2140 毫克/ 公斤
  • 方法二:由3-戊醇氧化而得。氧化反应在90℃进行,反应后进行过滤,然后分馏收集101-104℃馏分,即为成品。
  • 刺激数据:眼睛- 兔子 100 毫克/ 24小时 中度; 皮肤- 兔子 410 毫克 轻度
  • 用途三:3-戊酮是除草剂二甲戊乐的中间体。
  • MSDS 信息:3-戊酮(96-22-0).msds

系列性分类