1-甲氧基-1-丁烯-3-炔 | 2798-73-4

• 分子结构分类: 有机化合物 - 乙炔化物
• 中文名称: 1-甲氧基-1-丁烯-3-炔
• 中文别名: 1-甲氧基-丁烯-3-炔
• 英文名称: 1-methoxy-buten-3-yne
• 英文别名: 1-methoxy-but-1-en-3-yne；4-methoxy-3-buten-1-yne；1-methoxy-1-buten-3-yne；4-methoxy-but-3-en-1-yne；but-1-en-3-ynyl methyl ether；1-methoxybut-1-en-3-yne
• CAS: 2798-73-4
• 化学式: C₅H₆O
• 分子量: 82.102
• InChiKey: VTWTUVLDYHBQTC-UHFFFAOYSA-N

物化性质

• 沸点：
  89.95°C (rough estimate)
• 密度：
  0.9060

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

SDS

Name:	1-Methoxy-1-buten-3-yne 50 wt. % solution in methanol-water (4 to Material Safety Data Sheet
Synonym:
CAS:	2798-73-4

Section 1 - Chemical Product MSDS Name:1-Methoxy-1-buten-3-yne 50 wt. % solution in methanol-water (4 to Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2798-73-4	1-buten-3-yne, 1-methoxy-		220-531-3

Hazard Symbols: XN F
Risk Phrases: 11 20/21

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Target Organs: None.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

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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 immediately.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.
Refrigerator (approx 4C).

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits +--------------------+-------------------+-------------------+-----------------+ | Chemical Name | ACGIH | NIOSH |OSHA - Final PELs| |--------------------|-------------------|-------------------|-----------------| | 1-buten-3-yne, 1-me|none listed |none listed |none listed | | thoxy- | | | | +--------------------+-------------------+-------------------+-----------------+ OSHA Vacated PELs: 1-buten-3-yne, 1-methoxy-: No OSHA Vacated PELs are listed for this chemical.
Personal Protective Equipment Eyes: Wear chemical goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
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 a respirator's use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Not available.
Appearance: clear brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 122.0 - 125.0 deg C @ 760.00m
Freezing/Melting Point: 0 deg C
Autoignition Temperature: Not available.
Flash Point: 8 deg C ( 46.40 deg F)
NFPA Rating: Not published.
Explosion Limits, Lower: Not available.
Upper: Not available.
Decomposition Temperature:
Solubility:
Specific Gravity/Density: .9060g/cm3
Molecular Formula: C5H6O
Molecular Weight: 82.10

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2798-73-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-buten-3-yne, 1-methoxy- - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Chemical waste generators must determine whether a discarded chemical is classif as a hazardous waste.
US EPA guidelines for the classification determination are listed in 40 CFR Part Additionally, waste generators must consult state and local hazardous waste regu ensure complete and accurate classification.
RCRA P-Series: None listed.
RCRA U-Series: None listed.

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Section 14 - TRANSPORT INFORMATION

CDG/CPL
Not classified as hazardous for supply.
Canadian TDG
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN F
Risk Phrases:
R 11 Highly flammable.
R 20/21 Harmful by inhalation and in contact with
skin.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 23 Do not inhale gas/fumes/vapour/spray.
WGK (Water Danger/Protection)
CAS# 2798-73-4: 1
United Kingdom Occupational Exposure Limits
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
WHMIS: Not available.
CAS# 2798-73-4 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 2798-73-4 is listed on the TSCA inventory.
Health & Safety Reporting List
None of the chemicals are on the Health & Safety Reporting List.
Chemical Test Rules
None of the chemicals in this product are under a Chemical Test Rule.
Section 12b
None of the chemicals are listed under TSCA Section 12b.
TSCA Significant New Use Rule
None of the chemicals in this material have a SNUR under TSCA.
SARA
Section 302 (RQ)
None of the chemicals in this material have an RQ.
Section 302 (TPQ)
None of the chemicals in this product have a TPQ.
Section 313
No chemicals are reportable under Section 313.
Clean Air Act:
This material does not contain any hazardous air pollutants.
This material does not contain any Class 1 Ozone depletors.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-甲氧基-1-丁烯-3-炔 在 盐酸 作用下， 生成 乙酰乙醛
  参考文献：
  名称：

  Khudyakova,A.N. et al., Journal of Organic Chemistry USSR (English Translation), 1976, vol. 12, p. 1376 - 1379

  摘要：

  DOI：
• 作为产物：
  描述：

  6-Methoxy-2-methyl-hex-5-en-3-in-2-ol 在 氢氧化钾 、 丙酮 作用下， 以 甲醇 为溶剂， 生成 1-甲氧基-1-丁烯-3-炔
  参考文献：
  名称：

  Volkov,A.N. et al., Journal of Organic Chemistry USSR (English Translation), 1973, vol. 9, p. 1618 - 1622

  摘要：

  DOI：

文献信息

• Retinol analogues. Part I. Synthesis of acyclic analogues of retinoic acid
  作者：O. P. H. Augustyn、P. de Wet、C. F. Garbers、L. C. F. Lourens、E. Neuland、D. F. Schneider、K. Steyn

  DOI：10.1039/j39710001878

  日期：——

  Various C19 analogues of retinoic acid have been prepared from isopropyl t-butyl ketone. Potassium hydrogen sulphate in dimethyl sulphoxide proved an effective reagent for the elimination of water from intermediate hydroxyderivatives, but dehydration of 9-hydroxy-6,10-dimethyl-9-t-butylundeca-3,5,7-trien-2-one yielded 2-methyl-5-(4-isopropyl-1,5,5-trimethylhexa-1,3-dienyl)furan and 9-isopropyl-6,9

  由异丙基叔丁基酮制备了各种视黄酸的C 19类似物。硫酸氢钾在二甲基亚砜中被证明是一种有效的试剂，用于从中间体羟基衍生物中消除水，但是脱水后生成的9-羟基-6,10-二甲基-9-叔丁基不饱和醇-3,5,7-三烯-2-酮2-甲基-5-（4-异丙基-1,5,5-三甲基六-1,3-二烯基）呋喃和9-异丙基-6,9,10-三甲基不饱和糖-3,5,7,10-丁烯-2 -一。
• Characterization of the Key Aroma Compounds in Apricots (<i>Prunus armeniaca</i>) by Application of the Molecular Sensory Science Concept
  作者：Veronika Greger、Peter Schieberle

  DOI：10.1021/jf0705015

  日期：2007.6.1

  distillate prepared from fresh apricots revealed (R)-gamma-decalactone, (E)-beta-damascenone, delta-decalactone, and (R/S)-linalool with the highest flavor dilution (FD) factors among the 26 odor-active compounds identified. On the basis of quantitative measurements performed by application of stable isotope dilution assays, followed by a calculation of odor activity values (OAVs), beta-ionone, (Z)-1,5-octadien-3-one

  对由新鲜杏子制得的香精馏出物进行的香精提取物稀释分析表明，（R）-γ-癸内酯，（E）-β-大马烯酮，δ-十内酯和（R / S）-芳樟醇的风味稀释度最高（FD ）鉴定出的26种气味活性化合物中的因素。在应用稳定同位素稀释测定法进行定量测量的基础上，然后计算气味活性值（OAVs），β-紫罗兰酮，（Z）-1,5-辛二烯-3-酮，γ-癸内酯，（ E，Z）-2,6-壬二烯醛，芳樟醇和乙醛在OAVs> 100的情况下出现，特别是某些内酯，通常与杏香气有关，例如γ-十一内酯，γ-壬内酯和δ-癸内酯，显示非常低的OAV（<5）。通过将18种最重要的增香剂按新鲜水果中的浓度进行混合而制成的香气重组物，其总体香气与杏子非常相似。省略实验表明，杏子以前未知的成分，例如（E，Z）-2,6-nonadienalal或（Z）-1,5-octadien-3-one，是导致杏子香气的关键因素。
• Enantioselective Synthesis of Indolizidines Bearing Quaternary Substituted Stereocenters via Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition of Alkenyl Isocyanates and Terminal Alkynes
  作者：Ernest E. Lee、Tomislav Rovis

  DOI：10.1021/ol800086s

  日期：2008.3.1

  An enantioselective synthesis of indolizidines bearing quaternary substituted stereocenters by way of a rhodium-catalyzed [2+2+2] cycloaddition of substituted alkenyl isocyanates and terminal alkynes is described. The reaction provides lactam products using aliphatic alkynes, whereas aryl alkynes give rise to vinylogous amide products. Through modification of the phosphoramidite ligand, high levels

  描述了通过铑催化的取代烯基异氰酸酯和末端炔烃的 [2+2+2] 环加成反应，对映选择性合成带有季取代立体中心的吲哚里西啶。该反应使用脂肪族炔烃提供内酰胺产物，而芳基炔烃产生乙烯基酰胺产物。通过亚磷酰胺配体的修饰，两种产物都获得了高水平的对映选择性、区域选择性和产物选择性。
• A versatile and convenient synthesis of benzofurans
  作者：Gurinder J.S. Doad、John A. Barltrop、Cheryl M. Petty、Terence C. Owen

  DOI：10.1016/s0040-4039(00)99529-7

  日期：1989.1

  A convenient, general, one-step synthesis of 2-substituted benzofurans from o-iodophenols and acetylenic compounds in the presence of cuprous oxide is presented.

  提出了在氧化亚铜存在下由邻碘苯酚和炔属化合物方便地，一步一步合成2-取代的苯并呋喃的方法。
• Acid-catalyzed solvolysis of polyenol ethers. II. Effect of the degree of unsaturation
  作者：L.B.J. Vertegaal、A. Van der Gen

  DOI：10.1016/s0040-4020(01)87909-6

  日期：1990.1

  The acid-catalyzed solvolysis of polyenol ethers of glycerol gradually changes with increasing unsaturation from the regular pattern into an anomalous one in which hydroxy- and methoxy-substituted aldehydes are formed.

  甘油的烯醇醚的酸催化溶剂分解随着不饱和度的增加而从规则模式逐渐变化为异常态，其中形成了羟基和甲氧基取代的醛。