3002-24-2

• 常用中文名：2,4-己二酮
• 常用英文名：2,4-Hexanedione
• CAS号：3002-24-2
• 分子式：C₆H₁₀O₂
• 分子量：114.142
• 发布时间：2018-06-23 21:29:39
• 更新时间：2024-01-02 13:17:22

名称

• 中文名: 2,4-己二酮
• 英文名: hexane-2,4-dione
• 英文别名: Methylacetylacetone; EINECS 221-094-1; hexane-2,4-dione; MeC(O)CH2CO2Et; 2,4-hexandione; 3-methyl-acetylacetone; Propionylacetone; methyl acetylacetone; 2,4-Hexanedione; 2,4-DICHLORO-1,1,1,6,6,6-HEXAFLUORO-2-HEXENE; Acetone,propionyl

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 161.2±13.0 °C at 760 mmHg
• 分子式: C₆H₁₀O₂
• 分子量: 114.142
• 闪点: 53.6±16.8 °C
• 精确质量: 114.068077
• PSA: 34.14000
• LogP: 0.87
• 外观性状: 透明无色至黄色液体
• 蒸汽压: 2.3±0.3 mmHg at 25°C
• 折射率: 1.406
• 储存条件: 2-8°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.3

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:3

  5.互变异构体数量:8

  6.拓扑分子极性表面积:34.1

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:105

  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

MSDS

Name: 2 4-Hexanedione 99 % (GC) Material Safety Data Sheet Synonym: Propionylacetone CAS: 3002-24-2 Section 1 - Chemical Product MSDS Name:2 4-Hexanedione 99 % (GC) Material Safety Data Sheet Synonym:Propionylacetone Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 3002-24-2 2,4-Hexanedione 99 221-094-1 Hazard Symbols: XI Risk Phrases: 10 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Flammable. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis and corneal damage. Skin: Causes skin irritation. May cause irritation and dermatitis. May cause cyanosis of the extremities. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Ingestion of large amounts may cause CNS depression. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. Can produce delayed pulmonary edema. May cause burning sensation in the chest. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. 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. Vapors may form an explosive mixture with air. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Water may be ineffective. Material is lighter than water and a fire may be spread by the use of water. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. 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. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 3002-24-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: colorless Odor: acetone-like pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 152 - 154 deg C @ 760.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 46 deg C ( 114.80 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: .9590g/cm3 Molecular Formula: C6H10O2 Molecular Weight: 114.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, ignition sources, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3002-24-2: MO3145000 LD50/LC50: Not available. Carcinogenicity: 2,4-Hexanedione - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 Shipping Name: KETONES, LIQUID, N.O.S.* Hazard Class: 3 UN Number: 1224 Packing Group: III IMO Shipping Name: KETONES, LIQUID, N.O.S. Hazard Class: 3.3 UN Number: 1224 Packing Group: III RID/ADR Shipping Name: KETONES, N.O.S. Hazard Class: 3 UN Number: 1224 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 10 Flammable. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 9 Keep container in a well-ventilated place. S 16 Keep away from sources of ignition - No smoking. S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 33 Take precautionary measures against static discharges. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 3002-24-2: No information available. Canada CAS# 3002-24-2 is listed on Canada's DSL List. CAS# 3002-24-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3002-24-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : MO3145000 CHEMICAL NAME : 2,4-Hexanedione CAS REGISTRY NUMBER : 3002-24-2 BEILSTEIN REFERENCE NO. : 1071471 LAST UPDATED : 199710 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C6-H10-O2 MOLECULAR WEIGHT : 114.16 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,221,1954

安全

• 危害码 (欧洲): F+
• 危险品运输编码: UN 1224
• 包装等级: III
• 危险类别: 3.2
• 海关编码: 2914190090

合成路线

海关

海关编码	2914190090
中文概述	2914190090 其他不含其他含氧基的无环酮。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙酮报明包装
Summary	2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%