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2,2,5,5-四甲基四氢呋喃 | 15045-43-9

中文名称
2,2,5,5-四甲基四氢呋喃
中文别名
四氢-2,2,5,5-四甲基呋喃
英文名称
2,2,5,5-tetramethyltetrahydrofuran
英文别名
tetrahydro-2,2,5,5-tetramethylfuran;TMTHF;thf*;2,2,5,5-tetramethyloxolane
2,2,5,5-四甲基四氢呋喃化学式
CAS
15045-43-9
化学式
C8H16O
mdl
MFCD00005368
分子量
128.214
InChiKey
BBLDTXFLAHKYFJ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    112 °C(lit.)
  • 密度:
    0.811 g/mL at 25 °C(lit.)
  • 闪点:
    39 °F
  • 溶解度:
    可溶于氯仿(少许)、甲醇(少许)
  • 介电常数:
    5.0300000000000002
  • LogP:
    2.060
  • 保留指数:
    759

计算性质

  • 辛醇/水分配系数(LogP):
    2.1
  • 重原子数:
    9
  • 可旋转键数:
    0
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    9.2
  • 氢给体数:
    0
  • 氢受体数:
    1

ADMET

毒理性
  • 副作用
神经毒素 - 急性溶剂综合征
Neurotoxin - Acute solvent syndrome
来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

  • 危险等级:
    3
  • 危险品标志:
    F
  • 安全说明:
    S16,S29,S33
  • 危险类别码:
    R11
  • WGK Germany:
    3
  • 海关编码:
    2932190090
  • 包装等级:
    II
  • 危险类别:
    3
  • 危险品运输编号:
    UN 1993 3/PG 2
  • 危险性防范说明:
    P210,P233,P240,P241+P242+P243,P264,P280,P302+P352+P332+P313+P362+P364,P305+P351+P338+P337+P313,P403+P235,P501
  • 危险性描述:
    H225,H302
  • 储存条件:
    -20°C

SDS

SDS:77aae72d24566b387e95c6159f879a46
查看
Name: 2 2 5 5-Tetramethyltetrahydrofuran 98% Material Safety Data Sheet
Synonym: Tetrahydro-2,2,5,5-tetramethylfuran
CAS: 15045-43-9
Section 1 - Chemical Product MSDS Name:2 2 5 5-Tetramethyltetrahydrofuran 98% Material Safety Data Sheet
Synonym:Tetrahydro-2,2,5,5-tetramethylfuran

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
15045-43-9 2,2,5,5-Tetramethyltetrahydrofuran 98 239-117-9
Hazard Symbols: F
Risk Phrases: 11

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Highly flammable.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause cardiac disturbances. The toxicological properties of this substance have not been fully investigated.
Ingestion of large amounts may cause CNS depression.
Inhalation:
May cause 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.
May cause cardiac abnormalities. Inhalation at high concentrations may cause CNS depression and asphixiation. 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:
Never give anything by mouth to an unconscious person. 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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:

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. 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. Runoff from fire control or dilution water may cause pollution.
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. 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 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 15045-43-9: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear, colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 112 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 3 deg C ( 37.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .8110 g/cm3
Molecular Formula: C8H16O
Molecular Weight: 128.21

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong 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# 15045-43-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2,5,5-Tetramethyltetrahydrofuran - Not listed by ACGIH, IARC, or NTP.

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: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: II
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.2
UN Number: 1993
Packing Group: II
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: II

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F
Risk Phrases:
R 11 Highly flammable.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 33 Take precautionary measures against static
discharges.
WGK (Water Danger/Protection)
CAS# 15045-43-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15045-43-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15045-43-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A


上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    2,2,5,5-四甲基四氢呋喃 在 selenium(IV) oxide 、 盐酸氨基脲三乙胺 作用下, 生成 6,6,8,8-tetramethyl-2-selena-3,4-diaza-7-oxabicyclo<3.3.0>-octa-1(5),3-diene
    参考文献:
    名称:
    Photolysis of sterically protected bicyclic 1,2,3-selenadiazole
    摘要:
    DOI:
    10.1016/s0040-4039(00)85410-6
  • 作为产物:
    参考文献:
    名称:
    Faworskaja; Ryshowa, Zhurnal Obshchei Khimii, 1956, vol. 26, p. 423,424;engl.Ausg.S.447,448
    摘要:
    DOI:
  • 作为试剂:
    描述:
    2-甲基环己酮2,2,5,5-四甲基四氢呋喃lithium hexamethyldisilazane 作用下, 以 甲苯 为溶剂, 生成 6-methylcyclohexanone lithium enolate
    参考文献:
    名称:
    六甲基二硅叠氮化锂介导的酮烯醇化:受阻的二烷基醚和同构二烷基胺对反应速率和机理的影响
    摘要:
    描述了由受阻二烷基醚(ROR')溶剂化的六甲基二硅叠氮化锂(LiHMDS; TMS 2 NLi)介导的2-甲基环己酮烯化的机理研究。使用原位IR光谱表明,enolizations中的存在率的研究我-Pr 2 O,2,2,5,5-四甲基四氢呋喃,和桉树脑经由基于二聚体的过渡结构进行[(TMS 2 NLi)等2(ROR') (酮)] ‡。比较相对溶剂化能和相应的溶剂依赖性活化能表明,高度取代的醚通过使反应物空间不稳定并使过渡结构稳定而促进烯醇化。受阻二烷基醚与它们的同结构二烷基胺的比较表明,胺引起的明显更高的速率源于反应物的类似的相对不稳定和过渡结构的相对稳定。
    DOI:
    10.1021/jo030221y
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文献信息

  • Studies on the Conversions of Diols and Cyclic Ethers. Part 48. Dehydration of alcohols and diols on the action of dimethylsulfoxide
    作者:Árpád Molnár、Mihály Bartók
    DOI:10.1002/hlca.19810640204
    日期:1981.3.18
    The transformations of 13 alcohols and 13 diols in the presence of a small amount dimethylsulfoxide (1/16 mol) were studied. Relationships were found between the type of the hydroxy compound and the selectivity of the transformation, and conclusions were drawn regarding the transformation mechanism. The ether formation observed with certain alcohols proceeds via a carbenium cation. The reaction conditions
    研究了在少量二甲基亚砜(1/16 mol)存在下13种醇和13种二醇的转化。发现羟基化合物的类型与转化的选择性之间的关系,并就转化机理得出结论。在某些醇中观察到的醚形成是通过碳正离子进行的。发现所施加的反应条件适于诱导从二元1,2-和1,3-二醇中消除水(频哪醇重排,1,2-消除)。从1,4-和1,5-二醇可以以良好的产率获得相应的氧杂环烷烃。通过分子内亲核取代,通过协调的机制。DMSO的作用直接发挥,并且质子催化同时发生。
  • [EN] 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF<br/>[FR] COMPOSÉS DE 2-(PHÉNYL SUBSTITUÉ)-CYCLOPENTANE-1,3-DIONES ET LEURS DÉRIVÉS
    申请人:SYNGENTA LTD
    公开号:WO2013079708A1
    公开(公告)日:2013-06-06
    The present invention relates to a compound of formula (I): wherein: X is methyl or chlorine; R1 is methyl or chlorine; R2 is hydrogen, methyl, ethyl, n-propyl, cyclopropyl, vinyl, ethynyl, fluorine, chlorine, bromine, methoxy, ethoxy or fluoromethoxy; and G, R3, R4, R5 and R6 are as defined herein; wherein the compound of formula (I) is optionally present as an agrochemically acceptable salt thereof. These compounds are suitable for use as herbicides. The invention therefore also relates to a method of controlling weeds, especially grassy monocotyledonous weeds, in crops of useful plants, comprising applying a compound of formula (I), or a herbicidal composition comprising such a compound, to the plants or to the locus thereof.
    本发明涉及一种具有以下式(I)的化合物:其中:X为甲基或氯;R1为甲基或氯;R2为氢、甲基、乙基、正丙基、环丙基、乙烯基、乙炔基、氟、氯、溴、甲氧基、乙氧基或氟甲氧基;以及G、R3、R4、R5和R6如本文所定义;其中式(I)的化合物可以作为农药中可接受的盐存在。这些化合物适用于用作除草剂。因此,本发明还涉及一种控制杂草,特别是草本单子叶杂草,在有用植物作物中的方法,包括将式(I)的化合物或包含这种化合物的除草剂组合物施用于植物或其生长地点。
  • PREPARATION METHOD OF A CYCLIC PHOSPHONATE COMPOUND
    申请人:GANNEX PHARMA CO., LTD.
    公开号:US20210277039A1
    公开(公告)日:2021-09-09
    A method for preparing the cyclic phosphonate compound of Formula I is described. The method significantly improves the stereoselectivity of the compound with the required configuration.
    描述了一种制备公式I的环磷酸酯化合物的方法。该方法显著提高了具有所需构型的化合物的立体选择性。
  • MEMS for Light-Wave Networks
    作者:C. Randy Giles、David Bishop、Vladimir Aksyuk
    DOI:10.1557/mrs2001.73
    日期:2001.4

    As demonstrated in this issue, the emerging field of microelectromechanical systems (MEMS) is beginning to impact almost every area of science and technology. MEMS have the potential to revolutionize light-wave systems. Microdevices such as optical switches, variable attenuators, active equalizers, add/drop multiplexers (ADMs), optical cross-connects (OXCs), gain tilt equalizers, data transmitters, and many others are beginning to find ubiquitous application in advanced light-wave systems.

    正如本问题所展示的,新兴的微机电系统(MEMS)领域开始影响几乎所有科学技术领域。MEMS有潜力彻底改变光波系统。诸如光开关、可变衰减器、主动均衡器、加/波分复用器(ADM)、光交叉连接器(OXC)、增益倾斜均衡器、数据发射器等微器件开始在先进的光波系统中找到广泛应用。
  • [EN] BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES BICYCLIQUES POUR LE TRAITEMENT D'UNE HYPERTENSION ARTÉRIELLE PULMONAIRE
    申请人:NOVARTIS AG
    公开号:WO2013030802A1
    公开(公告)日:2013-03-07
    Bicyclic heterocyclic derivatives of formula (I) useful in inhibiting PDGF receptor mediated biological activity. Wherein A is and R1, R1a, R2, R3, R4, R5, R6 and X are as defined herein.
    具有式(I)的二环杂环衍生物,可用于抑制血小板衍生生长因子受体介导的生物活性。其中A、R1、R1a、R2、R3、R4、R5、R6和X如本文所定义。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

顺式-环氧丙烷-3,4-二胺二盐酸盐 青榄呋喃 茶香螺烷 苯胺,4-(2-哌嗪基)- 碳氯灵 硼烷四氢呋喃络合物 硫丹乙酯 甲基甲丙烯酰酸酯-叔丁基甲丙烯酰酸酯-月桂基甲丙烯酰酸酯共聚物 甲基丙烯酸四氢糠基酯 甲基[(噁戊环-2-基)甲基]胺盐酸 甲基2,5-脱水-3-脱氧戊酮酸酯 甲基(四氢呋喃-2-基甲基)砜 牛蝇畏 溴化锰(II)双(四氢呋喃) 溴化亚铁(II),双(四氢呋喃) 氧化芳樟醇 氘代四氢呋喃 异硫氰酸氢糠酯 异丙基-(四氢-呋喃-2-甲基)-胺 失水山梨醇 四氯双(四氢呋喃)合铌(IV) 四氢糠醇乙酸酯 四氢糠醇丙酸酯 四氢糠醇 四氢糠基硫醇 四氢呋喃氯化钛 四氢呋喃-D4 四氢呋喃-3-甲醛 四氢呋喃-2-甲醛 四氢呋喃-2-甲酰肼盐酸盐 四氢呋喃-2-乙酸 四氢呋喃 四氢-alpha-戊基-2-呋喃乙醇乙酸酯 四氢-alpha-[2-(四氢呋喃-2-基)乙基]-2-呋喃-1-丙醇 四氢-alpha,alpha,5-三甲基-5-乙烯基糠基乙酸酯 四氢-alpha,alpha,5-三甲基-5-(4-甲基-3-环己烯-1-基)呋喃-2-甲醇 四氢-N-[(四氢-2-呋喃基)甲基]-2-呋喃甲胺 四氢-N,2-二甲基-2-糠基胺 四氢-Alpha-戊基-2-呋喃甲醇乙酸酯 四氢-5-羟基呋喃-2-甲醇 四氢-5-甲基呋喃-2-甲醇 四氢-2-辛基呋喃 四氢-2-甲基-2-呋喃醇 四氢-2-呋喃基甲基3-氯丙酸酯 四氢-2-呋喃基氯乙酸甲酯 四氢-2-呋喃丙醇 四氢-2-呋喃-1-丙醇丙酸酯 呋喃,2-(二氯甲基)四氢- 右消旋的四氢糠醇 反式-四氢呋喃-3,4-二醇二硝酸酯