16387-70-5
16387-70-5结构式
- 常用中文名：3,5-辛二炔
- 常用英文名：3,5-Octadiyne
- CAS号：16387-70-5
- 分子式：C8H10
- 分子量：106.16500
- 发布时间：2018-06-21 11:19:27
- 更新时间：2024-01-04 11:32:06
| 中文名 | 3,5-辛二炔 |
|---|---|
| 英文名 | octa-3,5-diyne |
| 英文别名 |
Octa-3,5-diin
Diaethyl-diacetylen 3,5-Octadiyne Diethyldiacetylene |
| 密度 | 0.834g/cm3 |
|---|---|
| 沸点 | 163.5ºC at 760mmHg |
| 分子式 | C8H10 |
| 分子量 | 106.16500 |
| 闪点 | 43.2ºC |
| 精确质量 | 106.07800 |
| LogP | 1.81320 |
| 蒸汽压 | 2.69mmHg at 25°C |
| 折射率 | 1.464 |
| 分子结构 | 1、 摩尔折射率：35.12 2、 摩尔体积（m3/mol）：127.1 3、 等张比容（90.2K）：306.7 4、 表面张力（dyne/cm）：33.8 5、 极化率（10-24cm3）：13.92 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.7 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:1 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:139 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℃）：未确定 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）：未确定 6.沸点（ºC,5.2kPa）：未确定 7.折射率：未确定 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 |
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Section I.Chemical Product and Company Identification Chemical Name 3,5-Octadiyne Portland OR SynonymNot available. Chemical FormulaC8H10 CAS Number16387-70-5 Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data 3,5-Octadiyne16387-70-5Min. Not available.Not available. 98.0%(GC) Section III. Hazards Identification Acute Health EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However, exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this compound. CARCINOGENIC EFFECTS : Not available. Chronic Health Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention. Skin Contact In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention. If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or Inhalation waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not improve. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. Section V. Fire and Explosion Data Auto-IgnitionNot available. FlammabilityFlammable. Flash PointsFlammable LimitsNot available. Not available. Combustion ProductsThese products are toxic carbon oxides (CO, CO 2). Fire Hazards Not available. Risks of explosion of the product in presence of mechanical impact: Not available. Explosion Hazards Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting Media Flammable liquid. and InstructionsSMALL FIRE: Use DRY chemical powder. LARGE FIRE: Use alcohol foam, water spray or fog. Cool containing vessels with water jet in order to prevent pressure build-up, autoignition or explosion. Consult with local fire authorities before attempting large scale fire-fighting operations. Continued on Next Page 3,5-Octadiyne Section VI.Accidental Release Measures Spill CleanupFlammable liquid. InstructionsKeep away from heat. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY earth, sand or other non-combustible material. DO NOT touch spilled material. Prevent entry into sewers, basements or confined areas; dike if needed. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage Handling and StorageFLAMMABLE. Keep away from heat. Mechanical exhaust required. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray. Information Always store away from incompatible compounds such as oxidizing agents. Section VIII. Exposure Controls/Personal Protection Engineering ControlsProvide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location. Personal ProtectionSplash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Exposure LimitsNot available. Section IX. Physical and Chemical Properties Solubility Physical state @ 20°CLiquid. (Clear, Colorless.)Not available. 0.81(water=1) Specific Gravity Molecular Weight106.16Partition CoefficientNot available. Boiling Point164°C (327.2°F)Vapor PressureNot available. Melting PointNot available.Vapor DensityNot available. Not available.VolatilityNot available. Refractive Index Critical TemperatureNot available.OdorNot available. ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityAvoid excessive heat and light. Incompatibilities Reactive with oxidizing agents. Section XI. Toxicological Information RTECS NumberNot available. Eye Contact. Ingestion. Inhalation. Routes of Exposure Toxicity DataNot available. Chronic Toxic EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Acute Toxic EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However, exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this compound. Continued on Next Page 3,5-Octadiyne Section XII.Ecological Information EcotoxicityNot available. Environmental FateNot available. Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a Waste Disposal combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section XIV. Transport Information DOT ClassificationDOT Class 3: Flammable liquid PIN Number Proper Shipping Name Hydrocarbons, liquid, n.o.s. Packing Group (PG)III DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40 CFR 720.36 (C) for those products not on the inventory list: (EPA) (i) These products are supplied solely for use in research and development by or under the supervision of a technically qualified individual as defined in 40 CFR 720.0 et sec. (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be supplied on an MSDS sheet. WHMIS ClassificationNot available. (Canada) EINECS Number (EEC) Not available. EEC Risk StatementsR10- Flammable. R18- In use, may form flammable/explosive vapor-air mixture. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 海关编码 | 2901299090 |
|---|
|
~0%
16387-70-5
详细
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| 文献：Perrone, Serena; Bona, Fabio; Troisi, Luigino Tetrahedron, 2011 , vol. 67, # 38 p. 7386 - 7391 |
|
~90%
16387-70-5 |
| 文献：Brandsma; Verkruijsse; Walda Synthetic Communications, 1991 , vol. 21, # 1 p. 137 - 139 |
|
~0%
16387-70-5 |
| 文献：Champs, F.; Chamorro, E.; Gasol, V.; Guerrero, A. Synthetic Communications, 1989 , vol. 19, # 18 p. 3211 - 3220 |
|
~%
16387-70-5 |
| 文献：Herbertz Chemische Berichte, 1952 , vol. 85, p. 475,482 Chemische Berichte, 1959 , vol. 92, p. 541,550 |
|
~%
16387-70-5 |
| 文献：Armitage et al. Journal of the Chemical Society, 1951 , p. 44,47 Journal of the Chemical Society, 1952 , p. 1993,1996 |
| 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% |