2,2,5,5-四甲基四氢呋喃

2,2,5,5-四甲基四氢呋喃 基本信息
CAS号 15045-43-9 分子式 C8H16O
分子量 128.21200 精确质量 　128.12000
PSA 　9.23000 LogP 　2.35400
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
15045-43-9
3D弹球模型：
立即前往扯扯看
分子式：
C8H16O
分子量：
128.21200
中文名称：
2,2,5,5-四甲基四氢呋喃
英文名称：
2,2,5,5-tetramethyloxolane
中文别名：
2,2,5,5-四甲基四氢呋喃;
2,2,5,5-四甲基四氢呋喃,96%;
四氢-2,2,5,5-四甲基呋喃
英文别名：
2,2,5,5-tetramethyloxolane;
EINECS 239-117-9;
2,2,5,5-tetramethylhydrofuran;
Furan,tetrahydro-2,2,5,5-tetramethyl;
Tetrahydro-2,2,5,5-tetramethylfuran;
2,2,5,5-tetramethyltetrahydrofurane;
2,2,5,5-tetramethyldihydrofuran;
2,2,5,5-TETRAMETHYLTETRAHYDROFURAN
精确分子量/精确质量：
128.12000
极性分子表面积/PSA：
9.23000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：
239-117-9
InChI：
InChI=1/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3

物化性质展开↓

外观与性状：
透明无色
密度：
0.811 g/mL at 25 °C(lit.)
熔点：
-92ºC
沸点：
112 °C(lit.)
闪点：
39 °F
折射率：
n20/D 1.405(lit.)
蒸汽压：
26.1mmHg at 25°C
其它信息：

1. 性状：未确定

2. 密度（g/mL,25/4℃）：0.811

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）：112

6. 沸点（ºC,5.2kPa）： 未确定

7. 折射率： 1.405

8. 闪点（ºC）： 39

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

安全信息展开↓

包装等级：
II
风险类别：
3
海关代码：
2932190090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R11
安全说明：
S16-S29-S33
安全标志：
S16:远离火源。
S29:不要将残余物倾入排水口。
S33:采取防护措施防止静电发生。
危险标志：
F: Flammable;

合成路线查看所有的合成路线

  • 110-03-2

    2,5-二甲基-2,5-己二醇

  • →

    ~92%

  • 15045-43-9

    2,2,5,5-四甲基四氢呋喃

  • 110-03-2

    2,5-二甲基-2,5-己二醇

  • →

    ~75%

  • 15045-43-9

    2,2,5,5-四甲基四氢呋喃

  • +

  • 14908-27-1

    14908-27-1

  • 14908-27-1

    14908-27-1

  • +

  • 7664-93-9

    硫酸

  • →

  • 15045-43-9

    2,2,5,5-四甲基四氢呋喃

MSDS 展开↓

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

海关数据查看详细

中国海关编码：2932190090

概述：
2932190090 其他结构上有非稠合呋喃环化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:20.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据

五、分子性质数据：

1、   摩尔折射率：38.69

2、   摩尔体积（m3/mol）：156.5

3、   等张比容（90.2K）：350.8

4、   表面张力（dyne/cm）：25.2

5、   极化率（10-24cm3）：15.33

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积9.2

7.重原子数量:9

8.表面电荷:0

9.复杂度:99.7

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

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