3404-78-2

• 常用中文名：2,5-二甲基-2-己烯
• 常用英文名：2-Hexene, 2,5-dimethyl-
• CAS号：3404-78-2
• 分子式：C₈H₁₆
• 分子量：112.21300
• 发布时间：2018-06-17 20:16:40
• 更新时间：2024-01-08 15:52:05

名称

• 中文名: 2,5-二甲基-2-己烯
• 英文名: 2,5-dimethyl-2-hexene
• 英文别名: 2,5-Dimethyl-2-hexene; 2-hexene,2,5-dimethyl; 2,5-Dimethyl-hex-2-en; 2,5-dimethyl-hex-2-ene

物化性质

• 密度: 0.72 g/cm3
• 沸点: 113ºC
• 分子式: C₈H₁₆
• 分子量: 112.21300
• 闪点: 6.1ºC
• 精确质量: 112.12500
• LogP: 2.99870
• 外观性状: 液体;Colorless to Almost colorless clear liquid
• 折射率: 1.418
• 储存条件:

  常温， 避光，通风干燥处，密封保存

• 稳定性:

  1. 常温常压下稳定

  2. 存在于主流烟气中。

• 分子结构:

  1、 摩尔折射率：38.97

  2、 摩尔体积（cm³/mol）：154.3

  3、 等张比容（90.2K）：331.2

  4、 表面张力（dyne/cm）：21.1

  5、 介电常数（F/m）：2.43

  6、 极化率（10^-24cm³）：15.44

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.5

  2.氢键供体数量:0

  3.氢键受体数量:0

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:74

  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：未确定

  2. 密度（g/mL,25/4℃）：0.72

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：113

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率(n²⁰_D)：1.414

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

2,5-Dimethyl-2-hexene SAFETY DATA SHEET Section1. IDENTIFICATION Product name:2,5-Dimethyl-2-hexene Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Category 2 Flammable liquids HEALTH HAZARDS Category 1 Aspiration hazard ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordDanger Hazard statementsHighly flammable liquid and vapour May be fatal if swallowed and enters airways Precautionary statements: Keep away from heat/sparks/open flames/hot surfaces. - No smoking. [Prevention] Keep container tightly closed. Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary measures against ignition by the static discharge and the spark. Wear protective gloves/eye protection/face protection. [Response]IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Do NOT induce vomiting. IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. [Storage]Store in a well-ventilated place. Keep cool. Store locked up. [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:2,5-Dimethyl-2-hexene >95.0%(GC) Percent: CAS Number:3404-78-2 Chemical Formula:C8H16 2,5-Dimethyl-2-hexene 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. Rinse skin with water/shower. 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. Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT induce vomiting. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, carbon dioxide. media: Unsuitable extinguishing Water (It may scatter and spread fire.) media: 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: Keep containers cool by spraying with water. Eliminate all ignition sources if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use extra personal protective equipment (self-contained breathing apparatus). Keep Personal precautions, protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non- emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in dry sand or inert absorbent before recovering it into an containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding. up: Adhered or collected 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 hazards:case of a fire. Use spark-proof tools and explosion-proof equipment. 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 heat/sparks/open flame/hot surfaces. -No smoking. 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 if possible. Use a ventilation, local exhaust if vapour or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Keep container tightly closed. Store in a cool, dark and well-ventilated place. Storage conditions: Store locked up. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath. Personal protective equipment 2,5-Dimethyl-2-hexene Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied air respirator, etc. Use respirators approved under appropriate government standards and follow local and national regulations. Hand protection:Impervious gloves. Eye protection:Safety goggles. A face-shield, if the situation requires. Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Liquid Physical state (20°C): Form:Clear Colour:Colorless - Almost colorless Odour:No data available pH: No data available Melting point/freezing point:No data available Boiling point/range:113°C Flash point:11°C Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:0.72 Solubility(ies): [Water]No data available [Other solvents]No data available Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Spark, Open flame, Static discharge Conditions to avoid: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available No data available Crustacea: Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil No data available Log Pow: Soil adsorption (Koc):No data available 2,5-Dimethyl-2-hexene Section12. ECOLOGICAL INFORMATION Henry's LawNo data available 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 but exert extra care in igniting as this material is highly flammable. Observe all federal, state and local regulations when disposing of the substance Section14. TRANSPORT INFORMATION Hazards Class:3: Flammable liquid. 3295 UN-No: Proper shipping name:Hydrocarbons, liquid, n.o.s. Packing group:II 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

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): F+
• 风险声明 (欧洲): 10
• 安全声明 (欧洲): 16
• 危险品运输编码: UN 1216
• 海关编码: 2901299090

合成路线

上下游产品

上游产品  10
115-11-7 764-13-6 73331-61-0 4567-13-9
4567-23-1 19403-24-8 73331-62-1 3730-60-7
692-70-6 91008-85-4
下游产品  4
592-13-2 110-03-2 692-70-6 6975-92-4

海关

海关编码	2901299090
中文概述	2901299090 其他不饱和无环烃。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:2.0%。普通关税:30.0%
申报要素	品名, 成分含量, 用途, 用作气体燃料的应报明包装容器容积, 散装货物应报明
Summary	2901299090 unsaturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%