5-Methyl-2-hexanone 5-甲基-2-己酮

CAS 110-12-3 MFCD00008950

化学结构图

110-12-3
SMILES: CC(=O)CCC(C)C

化学属性

Mol. FormulaC7H14O
Mol. Weight114
Autoignition Point797 °F
Density0.814
Refractive index1.4050 to 1.4090
Vapor Density3.94 (vs air)
Boiling Point144°C
Vapor Pressure4.5 mmHg ( 20 °C)
Flash Point36°C(lit.)
Melting Point-74°
Solubility微溶于水，易溶于多数有机溶剂。
TSCAYes

别名和识别编码

Chemical Name5-Methyl-2-hexanone
MDL NumberMFCD00008950
CAS Number110-12-3
Synonym 2-Hexanone,5-methyl- Isobutylaceton Methyl-(3-methylbutyl)-keton Isoamyl-methylketon Ketone, methyl isoamyl 5-METHYL-2-HEXANONE 异丁基丙酮 5-甲基-2-已酮 5-Methylhexan-2-one 5-methyl-2-hexanone Methylisoamylketon 3-Methylbutyl methyl ketone Methyl isoamyl ketone 5-甲-2-己酮 Isopentyl methyl ketone ISOPENTYL METHYL KETONE 3-Methylbutylmethylketone 5-甲基-2-己酮 5-methyl-2-hexanon 2-METHYL-5-HEXANONE ISOAMYL METHYL KETONE 异丁基丙酮 异戊基甲基酮 2-Methyl-5-hexanone 5-Methylhexan-2-on Isopentylmethylketon 5-methylhexan-2-one 3-Methylbutylmethylketon 异庚酮 ketone,methylisoamyl 甲基异戊基酮 甲基己酮 ISOBUTYLACETONE 甲基异戊基甲酮 2-Hexanone, 5-methyl- 5-methyl-hexan-2-one methylisoamyl ketone MIAK Methyl isopentyl ketone Isopentyl-methylketon Isoamyl methyl ketone METHYL ISOAMYL KETONE 甲基異戊基酮 (CH3)2CHCH2CH2COCH3 Isoamylmethylketon 5-Methyl-2-hexanone 5-METHYL-2-OXOHEXANE
EC Number203-737-8
Beilstein Registry Number1(4)3329
PubChem Substance ID87571489
Reaxys-RN506163
Chemical Name Translation5-甲基-2-己酮
Wiswesser Line Notation1Y1&2V1
LabNetwork Molecule IDLN00163760
InChIInChI=1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
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分类

  • {uni_hamburg} no charge; ketone; 1fragment
  • {SA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} ReagentPlus, ReagentPlus Solvent Grade Products, ACS and Reagent Grade Solvents, Amber Glass Bottles, Carbon Steel Flex-Spout Cans, Semi-Bulk Solvents, Solvent Bottles, Solvent Packaging Options, Solvent by Application, Solvents

产品应用

  • 用于有机合成。

相关文献及参考

  • Beilstein:1(4)3329
  • Short: IV/10A
  • Short: III/38A
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMP3850000
Signal word
Hazard Codes
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R10 Flammable 易燃
  • R20 Harmful by inhalation 吸入有害
UN Number 2302 UN2302
Packing GroupIII
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+P242+P243
  • 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。
  • 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。
  • P301+P310+P331
  • P302+P352+P312+P362+P364
  • P303+P361+P353
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P337+P313
  • P370+P378
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Class3
Storage condition Flammables area
Warnings 危化品目录(2015) 危险化学品 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 10 mL/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: 8/7/1963

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton,
   G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82.
   Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985.
   Volume(issue)/page/year: 2C,4759,1982

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4000 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton,
   G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82.
   Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985.

其他信息

  • 蒸气密度:3.94 (vs air)
  • Acros Organics:5-甲基-2-己酮 5-Methyl-2-hexanone, 99%(110-12-3)
  • 储运特性:库房通风低温干燥; 与氧化剂分开储运
  • TCI Shanghai:异戊基甲基酮 Isoamyl Methyl Ketone,>;98.0%(GC)(110-12-3)
  • 急性毒性:口服-大鼠 LD50: 3200 毫克/公斤; 口服-小鼠 LD50: 2542 毫克/公斤
  • MOL 文件:110-12-3.mol
  • 职业标准:TLV-TWA 240 毫克/立方米; STEL 479 毫克/立方米
  • 下游产品:5-甲基-2-己醇
  • 爆炸物危险特性:蒸气与空气混合可爆
  • MSDS 信息:甲基异戊基甲酮(110-12-3).msds
  • 刺激数据:眼睛-兔 81 毫克/24小时 轻度
  • 毒性分级:中毒
  • 类别:易燃液体
  • 可燃性危险特性:易燃; 火场释放辛辣刺激烟雾
  • 外观性质:无色、透明液体, 具有令人有愉快感的气味。
  • 图谱信息:5-甲基-2-己酮(110-12-3)核磁图( 1 HNMR) 5-甲基-2-己酮(110-12-3)红外图谱(IR1) 5-甲基-2-己酮(110-12-3)核磁图( 13 CNMR) 5-甲基-2-己酮(110-12-3)Raman光谱 5-甲基-2-己酮(110-12-3)质谱(MS) 5-甲基-2-己酮(110-12-3)红外图谱(IR2)
  • 蒸气压:4.5 mm Hg ( 20 °C)
  • Sigma Aldrich:110-12-3(sigmaaldrich)
  • 灭火剂:干粉, 二氧化碳, 砂土, 泡沫
  • 有特殊的臭味；可混溶于多数有机溶剂。
  • 5-甲基-2-己酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 L1758403 5-甲基-2-己酮， 2．5L 871元 2011/04/16 I0087 异戊基甲基酮 Isoamyl Methyl Ketone 500ML 284元 2011/04/16 I0087 异戊基甲基酮 Isoamyl Methyl Ketone 25ML 139元
  • Alfa Aesar:5-甲基-2-己酮,99% 5-Methyl-2-hexanone, 99%(110-12-3)
  • 海关编码:29141910

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Organometallic Reagents 金属有机试剂
  3. Grignard Reagents 格氏试剂
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Solvent by Application - Solvents
  4. ACS and Reagent Grade Solvents - Solvent by Application
  5. ReagentPlus® Solvent Grade Products - ACS and Reagent Grade Solvents
  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. C7 to C8 - Ketones
  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. Hydrazides - Carbonyl Compounds
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Anhydrous Grade Solvents 超干溶剂
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Anhydrous Grade Solvents 超干溶剂
  1. Chemical Synthesis 化学合成
  2. Others
  1. Chemical Synthesis 化学合成
  2. Others

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