41051-21-2

• 常用中文名：octyl 4-chloro-3-oxobutanoate
• 常用英文名：octyl 4-chloro-3-oxobutanoate
• CAS号：41051-21-2
• 分子式：C₁₂H₂₁ClO₃
• 分子量：248.74600
• 发布时间：2018-06-26 19:10:07
• 更新时间：2024-01-02 18:14:24

名称

• 英文名: octyl 4-chloro-3-oxobutanoate
• 英文别名: Octyl-4-chloroacetoacetate; 4-OCA; Butanoic acid,4-chloro-3-oxo-,octyl ester; n-Octyl 4-chloroacetoacetate

物化性质

• 密度: 1.042g/cm3
• 沸点: 313.5ºC at 760mmHg
• 分子式: C₁₂H₂₁ClO₃
• 分子量: 248.74600
• 精确质量: 248.11800
• PSA: 43.37000
• LogP: 3.08810
• 折射率: 1.4575-1.4595
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：64.29

  2、 摩尔体积（m³/mol）：238.6

  3、 等张比容（90.2K）：577.8

  4、 表面张力（dyne/cm）：34.3

  5、 极化率（10 ^-24cm ³）：25.48

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:11

  5.互变异构体数量:5

  6.拓扑分子极性表面积43.4

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:204

  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:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：1.06

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：114-119

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.4575-1.4595

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: n-Octyl 4-chloroacetoacetate tech. 85% Material Safety Data Sheet Synonym: Octyl 4-chloro-3-oxobutanoat CAS: 41051-21-2 Section 1 - Chemical Product MSDS Name:n-Octyl 4-chloroacetoacetate tech. 85% Material Safety Data Sheet Synonym:Octyl 4-chloro-3-oxobutanoat Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 41051-21-2 N-Octyl 4-chloroacetoacetate, tech. 85 85% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Exposure Limits CAS# 41051-21-2: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear a chemical apron. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: clear yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 114 - 119 deg C @ 760.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.0600g/cm3 Molecular Formula: C12H21ClO3 Molecular Weight: 248.74 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 41051-21-2 unlisted. LD50/LC50: Not available. Carcinogenicity: N-Octyl 4-chloroacetoacetate, tech. 85% - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 41051-21-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 41051-21-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 41051-21-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 37/39-26
• 海关编码: 2918300090

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海关

海关编码	2918300090
中文概述	2918300090 其他含醛基或酮基不含其他含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%