16356-02-8

• 常用中文名：1,4-二甲氧基-2-丁炔
• 常用英文名：1,4-DIMETHOXY-2-BUTYNE
• CAS号：16356-02-8
• 分子式：C₆H₁₀O₂
• 分子量：114.14200
• 发布时间：2018-08-21 17:12:39
• 更新时间：2024-01-06 13:42:23

名称

• 中文名: 1,4-二甲氧基-2-丁炔
• 英文名: 1,4-dimethoxybut-2-yne
• 英文别名: 1,4-dimethoxt-2-butyne; 2-Butyne,1,4-dimethoxy; 1,4-bis(methoxy)but-2-yne; 1,4-bis(methoxy)butyne-2; 1,4-dimethoxy-but-2-yne; 2-Butyndiol dimethyl ether; MFCD00048069; 1,4-Dimethoxy-2-butyne; bis(methoxymethyl)acetylene

物化性质

• 密度: 0.944 g/mL at 25ºC(lit.)
• 沸点: 70ºC30 mm Hg(lit.)
• 分子式: C₆H₁₀O₂
• 分子量: 114.14200
• 闪点: 128 °F
• 精确质量: 114.06800
• PSA: 18.46000
• LogP: 0.28260
• 蒸汽压: 5.91mmHg at 25°C
• 折射率: n20/D 1.434(lit.)
• 储存条件:

  密闭、阴凉、干燥处

• 稳定性:

  按规定使用不会分解，避氧化剂、热、火花、明火

• 分子结构:

  1、 摩尔折射率：31.34

  2、 摩尔体积（cm³/mol）：123.6

  3、 等张比容（90.2K）：288.3

  4、 表面张力（dyne/cm）：29.6

  5、 极化率：12.42

  6、 介电常数：未确定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0

  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:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积18.5

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:85.6

  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℃）：0.944

  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,30mmHg）：70

  7. 折射率：n20/D 1.434

  8. 闪点（ºC）：53

  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（20ºC）：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

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: 1,4-Dimethoxy-2-butyne CAS-No.: 16356-02-8 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP] Flammable liquids (Category 3) Classification according to EU Directives 67/548/EEC or 1999/45/EC Flammable. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordWarning Hazard statement(s) H226Flammable liquid and vapour. Precautionary statement(s) none Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s)none R-phrase(s) R10Flammable. S-phrase(s) S16Keep away from sources of ignition - No smoking. Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Formula: C6H10O2 Molecular Weight: 114,14 g/mol Section4. FIRST AID MEASURES Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Flush eyes with water as a precaution. If swallowed Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Indication of any immediate medical attention and special treatment needed no data available Section5. FIREFIGHTING MEASURES Extinguishing media Suitable extinguishing media For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Special hazards arising from the substance or mixture Carbon oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information Use water spray to cool unopened containers. Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Avoid breathing vapors, mist or gas. Remove all sources of ignition. Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low areas. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations (see section 13). Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid inhalation of vapour or mist. Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic charge. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Specific end use(s) no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Impervious clothing., Flame retardant antistatic protective clothing, The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: liquid Colour: colourless b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingno data available point f) Initial boiling point and 70 °C at 40 hPa - lit. boiling range g) Flash point53 °C - closed cup h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density0,944 g/cm3 at 25 °C n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid Heat, flames and sparks. Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. May cause respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. May cause skin irritation. EyesMay cause eye irritation. Signs and Symptoms of Exposure To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. Additional Information RTECS: Not available Section12. ECOLOGICAL INFORMATION Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: 3271IMDG: 3271IATA: 3271 UN proper shipping name ADR/RID: ETHERS, N.O.S. (1,4-Dimethoxy-2-butyne) IMDG: ETHERS, N.O.S. (1,4-Dimethoxy-2-butyne) IATA:Ethers, n.o.s. (1,4-Dimethoxy-2-butyne) Transport hazard class(es) ADR/RID: 3IMDG: 3IATA: 3 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: noIMDG Marine Pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 风险声明 (欧洲): R10
• 安全声明 (欧洲): S23-S24/25
• 危险品运输编码: UN 3271 3/PG 3
• 海关编码: 2909199090

合成路线

110-65-6 77-78-1 ~70% 16356-02-8

文献：Adams, Harry; Anderson, James C.; Bell, Richard; Jones, D. Neville; Peel, Michael R.; Tomkinson, Nicholas C. O. Journal of the Chemical Society - Perkin Transactions 1, 1998 , # 23 p. 3967 - 3973

110-65-6 77-78-1 ~% 18857-03-9 16356-02-8

文献：Hennion; Kupiecki Journal of Organic Chemistry, 1953 , vol. 18, p. 1601,1606 Full Text Show Details Ichikizaki et al. Bulletin of the Chemical Society of Japan, 1955 , vol. 28, p. 80,82

186581-53-3 110-65-6 ~% 16356-02-8

文献：Mueller et al. Zeitschrift fuer Naturforschung, 1959 , vol. 14b, p. 209

110-65-6 74-87-3 ~% 16356-02-8

文献：BASF Patent: DE804569 , 1950 ; DRP/DRBP Org.Chem.

110-65-6 75-93-4 ~% 16356-02-8

文献：BASF Patent: DE804570 , 1950 ; DRP/DRBP Org.Chem.

110-65-6 74-87-3 ~% 18857-03-9 16356-02-8

文献：BASF Patent: DE804569 , 1950 ; DRP/DRBP Org.Chem.

4301-15-9 107-30-2 ~% 16356-02-8

文献：Lespieau Annales de Chimie (Cachan, France), 1912 , vol. <8>27, p. 169 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1911 , vol. 152, p. 879 Full Text Show Details Dupont Annales de Chimie (Cachan, France), 1913 , vol. <8> 30, p. 492

4301-15-9 ~% 16356-02-8

文献：Gauthier,D. Annales de Chimie (Cachan, France), 1909 , vol. <8> 16, p. 332

4301-15-9 60-29-7 107-30-2 ~% 16356-02-8

文献：Gauthier,D. Annales de Chimie (Cachan, France), 1909 , vol. <8> 16, p. 332

上下游产品

上游产品  8
110-65-6 77-78-1 186581-53-3 74-87-3
75-93-4 4301-15-9 107-30-2 60-29-7
下游产品  10
25680-86-8 24000-38-2 628-28-4 67-56-1
13179-96-9 625-45-6 6237-59-8 109552-63-8
118724-00-8 74744-36-8

海关

海关编码	2909199090
中文概述	2909199090. 其他无环醚及其卤化衍生物（包括磺化，硝化或亚硝化衍生物）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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
Summary	2909199090. other acyclic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%