1-甲基-3-三氟甲基苯乙醇

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

1-甲基-3-三氟甲基苯乙醇 基本信息

中文名称:
1-甲基-3-三氟甲基苯乙醇 
中文别名:
1-(3-三氟甲基苯基)乙醇;
1-[3-(三氟甲基)苯基]乙醇;
1-甲基-3-三氟甲基苯乙醇 
英文名称:
Benzenemethanol, a-methyl-3-(trifluoromethyl)-
英文别名:
1-[3-(Trifluoromethyl)phenyl]ethanol;
1-(3-(Trifluoromethyl)phenyl)ethanol;
alpha-Methyl-3-(trifluoromethyl)benzyl alcohol;
?-Methyl-3-trifluoromethylbenzyl alcohol 
CAS No.:
454-91-1
分 子 式:
C9H9F3O
分 子 量:
190.16
精确分子量:
190.06100
PSA:
20.23000
InChI:
The Key: YNVXCOKNHXMBQC-LURJTMIESA-N
风险术语:
36/37/38
安全术语:
S24/25
分子结构式:
SDS:
查看

1-甲基-3-三氟甲基苯乙醇 制备方法及用途

合成制备方法

暂无

用途

暂无

1-甲基-3-三氟甲基苯乙醇 物化性质

外观与性状:
透明无色至略黄色液体
密度:
1.234g/cm3
沸点:
206.9ºC at 760 mmHg
闪点:
96.1ºC
折射率:
1.461
蒸汽压:
0.14mmHg at 25°C
存储条件/存储方法:

密封保存,放置于通风、干燥地方,避免于其他氧化物接触。

稳定性相关:

按规格使用和贮存,不会发生分解,避免与氧化物接触

其它信息:

1.      性状:未确定

2.      密度(g/m3,25/4):1.249

3.      相对蒸汽密度(g/cm3,空气=1):未确定

4.      熔点(ºC:未确定

5.      沸点(ºC,常压):100-102

6.      沸点(ºC,5.2kPa):未确定

7.      折射率:1.458

8.      闪点(ºF):205

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

1-甲基-3-三氟甲基苯乙醇 安全信息

WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi,F

1-甲基-3-三氟甲基苯乙醇 毒理性

毒理学数据:

暂无

生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

1-甲基-3-三氟甲基苯乙醇 MSDS

Name: alpha-Methyl-3-(trifluoromethyl)benzyl alcohol 96% Material Safety Data Sheet
Synonym:
CAS: 454-91-1
Section 1 - Chemical Product   MSDS Name:alpha-Methyl-3-(trifluoromethyl)benzyl alcohol 96% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
454-91-1 alpha-Methyl-3-(trifluoromethyl)benzyl 96% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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.
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. Wash mouth out with 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.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Combustible liquid.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store in a cool, dry, well-ventilated area away from incompatible substances.

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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 454-91-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
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 respirator use. 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 100 - 102 deg C @ 1
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 96 deg C ( 204.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.2490g/cm3
Molecular Formula: CF3C6H4CH(CH3)OH
Molecular Weight: 190.17

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 454-91-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
alpha-Methyl-3-(trifluoromethyl)benzyl alcohol - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 454-91-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 454-91-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 454-91-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-甲基-3-三氟甲基苯乙醇 分子结构与计算化学数据

分子结构数据

1  摩尔折射率:42.31

2  摩尔体积m3/mol154.0

3  等张比容(90.2K):356.4

4  表面张力dyne/cm28.6

5  极化率10-24cm316.77

计算化学数据

1.疏水参数计算参考值(XlogP):2.3

2.氢键供体数量:1

3.氢键受体数量:4

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20.2

7.重原子数量:13

8.表面电荷:0

9.复杂度:167

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:1

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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