2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮 基本信息

中文名称:
2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮 
中文别名:
2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮;
1,1,1-三氟-2,4-己二酮 
英文名称:
2,4-Hexanedione,1,1,1-trifluoro-
英文别名:
1,1,1-Trifluoro-2,4-hexanedione;
1,1,1-trifluorohexane-2,4-dione 
CAS No.:
400-54-4
分 子 式:
C6H7F3O2
分 子 量:
168.11
精确分子量:
168.04000
PSA:
34.14000
MDL:
MFCD00051306
EINECS:
206-924-2
InChI:
The Key: SBRYTXXHTKCMFT-UHFFFAOYSA-N
风险术语:
R10
安全术语:
S16
分子结构式:
SDS:
查看

2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮 物化性质

密度:
1.216g/cm3
沸点:
144.1ºC at 760mmHg
闪点:
39.4ºC
折射率:
1.396
蒸汽压:
0.0409mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。远离火源,易燃易爆区。

稳定性相关:

常温常压下稳定,避免与不相容材料,火源接触。

2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮 安全信息

海关代码:
2914700090
危险类别码:
10
安全说明:
S16
安全标志:
S16:远离火源。
危险标志:
Xi: Irritant;

2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮 毒理性

生态数据:

对环境有危害,对水体有污染,禁止进入水体。

2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮 MSDS

Name: 1 1 1-Trifluoro-2 4-Hexanedione Material Safety Data Sheet
Synonym: None
CAS: 400-54-4
Section 1 - Chemical Product   MSDS Name:1 1 1-Trifluoro-2 4-Hexanedione Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
400-54-4 2,4-Hexanedione, 1,1,1-Trifluoro- ca 100 206-924-2
Hazard Symbols: None Listed.
Risk Phrases: 10

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
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. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. 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 burning sensation in the chest.
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:
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.
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.
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:
Remove contaminated clothing and wash before reuse. 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 heat, sparks, and flame. 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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 400-54-4: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 125 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 28 deg C ( 82.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H7F3O2
Molecular Weight: 168.12

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, fluoride fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 400-54-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4-Hexanedione, 1,1,1-Trifluoro- - 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: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
R 10 Flammable.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 28A After contact with skin, wash immediately with
plenty of water.
S 33 Take precautionary measures against static
discharges.
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# 400-54-4: No information available.
Canada
CAS# 400-54-4 is listed on Canada's NDSL List.
CAS# 400-54-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 400-54-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮 海关数据

中国海关编码:2914700090

概述:
2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 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, 丙酮报明包装
摘要/Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):1.4

2.氢键供体数量:0

3.氢键受体数量:5

4.可旋转化学键数量:3

5.互变异构体数量:5

6.拓扑分子极性表面积34.1

7.重原子数量:11

8.表面电荷:0

9.复杂度:171

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

2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮 上游产品

2-羟基-2-甲基-1-[4-(叔丁基)苯基]-1-丙酮 下游产品

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产品介绍:
产品名称:1,1,1-三氟-2,4-己二酮 Cas号:400-54-4 纯度: 包装信息:洽谈 价格:洽谈
联系方式:
联系人:张嘉彬 电话:021-60536261 17802116021 手机:17802116021