22457-23-4

• 常用中文名：5-甲基-3-庚酮肟
• 常用英文名：3-Heptanone, 5-methyl-,oxime
• CAS号：22457-23-4
• 分子式：C₈H₁₇NO
• 分子量：143.22700
• 发布时间：2018-03-31 08:00:00
• 更新时间：2024-01-14 07:42:04

名称

• 中文名: 5-甲基-3-庚酮肟
• 英文名: N-(5-methylheptan-3-ylidene)hydroxylamine
• 中文别名: 百部酮
• 英文别名: 5-methyl-3-heptanone oxime; 3-Methyl-5-heptanone oxime; Stemone; 5-Methyl-Heptan-3-on-Oxim; Ethyl 2-methylbutyl ketoxine; EINECS 245-010-8; Ethyl 2-methylbutyl ketoxime; 5-Methylheptan-3-one oxime

物化性质

• 密度: 0.89g/cm3
• 沸点: 220.8ºC at 760mmHg
• 分子式: C₈H₁₇NO
• 分子量: 143.22700
• 闪点: 119.6ºC
• 精确质量: 143.13100
• PSA: 32.59000
• LogP: 2.66280
• 蒸汽压: 0.0414mmHg at 25°C
• 折射率: 1.445
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.5

  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:4

  5.互变异构体数量:4

  6.拓扑分子极性表面积:32.6

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:110

  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:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:1

  15.共价键单元数量:1

MSDS

Version 1.2 Regulation (EC) No 1907/2006 1 - Product and Company Information Product Name5-METHYL-3-HEPTANONE OXIME - 250 MG 2 - Hazards Identification SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT Not hazardous according to Directive 67/548/EEC. 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number 5-METHYL-3-HEPTANONE OXIME22457-23-4 245-010-8 None FormulaC8H17NO Molecular Weight 143,2300 AMU Synonyms3-Heptanone, 5-methyl-, oxime, * Ethyl 2-methylbutyl ketoxine 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If breathing becomes difficult, call a physician. AFTER SKIN CONTACT In case of contact, immediately wash skin with soap and copious amounts of water. AFTER EYE CONTACT In case of contact with eyes, flush with copious amounts of water for at least 15 minutes. Assure adequate flushing by separating the eyelids with fingers. Call a physician. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures ALDRICHwww.molbase.com EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or appropriate foam. SPECIAL RISKS Specific Hazard(s): Emits toxic fumes under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures METHODS FOR CLEANING UP Absorb on sand or vermiculite and place in closed containers for disposal. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage HANDLING Directions for Safe Handling: Avoid inhalation. Avoid contact with eyes, skin, and clothing. Avoid prolonged or repeated exposure. STORAGE Conditions of Storage: Keep tightly closed. 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Safety shower and eye bath. Mechanical exhaust required. GENERAL HYGIENE MEASURES Wash thoroughly after handling. PERSONAL PROTECTIVE EQUIPMENT Respiratory Protection: Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Respiratory protection is not required. Where protection is desired, use multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges. Hand Protection: Protective gloves. Eye Protection: Chemical safety goggles. 9 - Physical and Chemical Properties AppearancePhysical State: Liquid PropertyValueAt Temperature or Pressure pHN/A BP/BP RangeN/A MP/MP RangeN/A Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing PropertiesN/A Explosive PropertiesN/A ALDRICHwww.molbase.com Explosion LimitsN/A Vapor PressureN/A Partition Coefficient Log Kow: 2,871 ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY Stable: Stable. Materials to Avoid: Strong oxidizing agents. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides. HAZARDOUS POLYMERIZATION Hazardous Polymerization: Will not occur 11 - Toxicological Information ACUTE TOXICITY LD50 Oral Rat 3800,000000 mg/kg SENSITIZATION Sensitization: Possible sensitizer. Skin: Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals. The preceding data, or interpretation of data, was determined using Quantitative Structure Activity Relationship (QSAR) modeling. SIGNS AND SYMPTOMS OF EXPOSURE To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. ROUTE OF EXPOSURE Skin Contact: May cause skin irritation. Skin Absorption: May be harmful if absorbed through the skin. Eye Contact: May cause eye irritation. Inhalation: Material may be irritating to mucous membranes and upper respiratory tract. May be harmful if inhaled. Ingestion: May be harmful if swallowed. 12 - Ecological Information No data available. ALDRICHwww.molbase.com 13 - Disposal Considerations SUBSTANCE DISPOSAL Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA Non-hazardous for air transport. 15 - Regulatory Information Not hazardous according to Directive 67/548/EEC. 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. ALDRICHwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : MJ7430000 CHEMICAL NAME : 3-Heptanone, 5-methyl-, oxime CAS REGISTRY NUMBER : 22457-23-4 LAST UPDATED : 199701 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C8-H17-N-O HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3800 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,87S,1992 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 30,87S,1992 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0102 No. of Facilities: 256 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 2982 (estimated) No. of Female Employees: 2071 (estimated)

安全

• 海关编码: 2928000090

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%