105-44-2

• 常用中文名：4-甲基-2-戊酮肟
• 常用英文名：Methyl isobutyl ketoxime
• CAS号：105-44-2
• 分子式：C₆H₁₃NO
• 分子量：115.17400
• 发布时间：2018-09-09 11:21:59
• 更新时间：2024-01-04 17:50:11

名称

• 中文名: 甲基异丁基酮肟
• 英文名: N-(4-methylpentan-2-ylidene)hydroxylamine
• 中文别名: 4-甲基-2-戊酮肟
• 英文别名: 4-methyl-pentan-2-one oxime; isobutyl methyl ketone oxime; Methyl isobutyl ketoxime; MFCD00013933; isobuty methyl ketone oxime; 4-Methyl-pentan-2-on-oxim; 4-Methyl-2-pentanone oxime; EINECS 203-298-2; Isobutyl Methyl Ketoxime; N-hydroxy-4-methylpentan-2-imine; Isopropylacetone Oxime

物化性质

• 密度: 0.89 g/cm3
• 沸点: 179.8ºC at 760 mmHg
• 分子式: C₆H₁₃NO
• 分子量: 115.17400
• 闪点: 88.1ºC
• 精确质量: 115.10000
• PSA: 32.59000
• LogP: 1.88260
• 外观性状: 无色透明液体
• 蒸汽压: 0.434mmHg at 25°C
• 折射率: 0.88
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：33.54

  2、 摩尔体积（cm³/mol）：128.1

  3、 等张比容（90.2K）：288.8

  4、 表面张力（dyne/cm）：25.8

  5、 介电常数：

  6、 偶极距（10^-24cm³）：

  7、 极化率：13.29

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.5

  2、 氢键供体数量：1

  3、 氢键受体数量：2

  4、 可旋转化学键数量：2

  5、 互变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：32.6

  7、 重原子数量：8

  8、 表面电荷：0

  9、 复杂度：86.5

  10、同位素原子数量：0

  11、确定原子立构中心数量：0

  12、不确定原子立构中心数量：0

  13、确定化学键立构中心数量：1

  14、不确定化学键立构中心数量：0

  15、共价键单元数量：1

MSDS

4-Methyl-2-pentanone Oxime Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:4-Methyl-2-pentanone Oxime Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 4 Flammable liquids HEALTH HAZARDS Category 2 Skin corrosion/irritation Serious eye damage/eye irritationCategory 2A Not classified ENVIRONMENTAL HAZARDS GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsCombustible liquid Causes skin irritation Causes serious eye irritation Precautionary statements: Keep away from flames and hot surfaces. [Prevention] Wash hands thoroughly after handling. Wear protective gloves and eye/face protection. [Response]IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. [Storage]Store in a well-ventilated place. Keep cool. [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:4-Methyl-2-pentanone Oxime Percent:.... 105-44-2 CAS Number: Synonyms:Isobutyl Methyl Ketoxime , Isopropylacetone Oxime 4-Methyl-2-pentanone Oxime Section3. COMPOSITION/INFORMATION ON INGREDIENTS Chemical Formula:C6H13NO Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Get medical advice/attention if you feel unwell. Rinse mouth. Ingestion: Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, carbon dioxide. Suitable extinguishing media: Unsuitable extinguishing Water (It may scatter and spread fire.) media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in case of a fire. Use spark-proof tools and explosion-proof equipment. hazards: Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent generation of vapour or mist. Keep away from flames and hot surfaces. Take measures to prevent the build up of electrostatic charge. Use explosion-proof equipment. Wash hands and face thoroughly after handling. Use a closed system, ventilation. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool, dark and well-ventilated place. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. 4-Methyl-2-pentanone Oxime Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Hand protection:Protective gloves. Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Liquid Clear Form: Colour:Colorless - Slightly pale yellow No data available Odour: pH: No data available Melting point/freezing point:No data available Boiling point/range:70°C/1.1kPa Flash point:78°C Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:0.89 Solubility(ies): [Water]No data available No data available [Other solvents] Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Conditions to avoid:Open flame Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx) products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:ipr-mus LD50:200 mg/kg orl-mus LD50:>2 g/kg Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available Reproductive toxicity:No data available RTECS Number:SA9450000 Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): 4-Methyl-2-pentanone Oxime Section12. ECOLOGICAL INFORMATION Mobility in soil No data available Log Pow: Soil adsorption (Koc):No data available No data available Henry's Law constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Does not correspond to the classification standard of the United Nations Hazards Class: UN-No:Not listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性：小鼠经口LD50：>2mg/kg； 小鼠腹膜腔LD50：200mg/kg； CHEMICAL IDENTIFICATION RTECS NUMBER : SA9450000 CHEMICAL NAME : 2-Pentanone, 4-methyl-, oxime CAS REGISTRY NUMBER : 105-44-2 BEILSTEIN REFERENCE NO. : 1741644 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C6-H13-N-O MOLECULAR WEIGHT : 115.20 WISWESSER LINE NOTATION : QNUY1&1Y1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >2 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : MEXPAG Medicina Experimentalis. (Basel, Switzerland) V.1-11, 1959-64; V.18-19, 1968-69. For publisher information, see JNMDBO. Volume(issue)/page/year: 11,137,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): 26-36
• RTECS号: SA9450000
• 海关编码: 2928000090

合成路线

108-10-1 ~8% 105-44-2 1540-94-9

文献：Tetrahedron Letters, , vol. 52, # 46 p. 6103 - 6107

108-10-1 ~94% 105-44-2

文献：Journal of the Indian Chemical Society, , vol. 76, # 4 p. 218 - 219

107-83-5 ~% 56134-20-4 105-44-2

文献：Bulletin de la Societe Chimique de France, , p. 2001 - 2004

上下游产品

上游产品  2
108-10-1 107-83-5
下游产品  8
646-07-1 1540-94-9 108-10-1 690-60-8
20632-35-3 80278-01-9 64222-36-2 40200-64-4

海关

海关编码	2928000090
中文概述	2928000090 其他肼（联氨）及胲（羟胺）的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%