2040-07-5

2040-07-5结构式

常用中文名：2',4',5'-三甲基苯乙酮
常用英文名：2',4',5'-trimethylacetophenone
CAS号：2040-07-5
分子式：C₁₁H₁₄O
分子量：162.22800
相关类别：化学试剂有机试剂芳香酮
发布时间：2018-09-10 11:59:17
更新时间：2024-01-10 17:09:53

中文名	2',4',5'-三甲基苯乙酮
英文名	1-(2,4,5-trimethylphenyl)ethanone
中文别名	2’,4’,5’-三甲基苯乙酮
英文别名	MFCD00017244 2,3-DIHYDRO-4-THIEN-2-YL-1H-1,5-BENZODIAZEPINE 1-(2,4,5-trimethyl-phenyl)-ethanone Methyl-(2.4.5-trimethyl-phenyl)-keton Acetophenone,2',4',5'-trimethyl 1-(2,4,5-Trimethyl-phenyl)-aethanon ETHANONE,1-(2,4,5-TRIMETHYLPHENYL) 51-Oxo-1.2.4-trimethyl-5-aethyl-benzol 1-(2,4,5-Trimethylphenyl)ethan-1-one EINECS 218-036-2 1.2.4-Trimethyl-5-acetyl-benzol 2',4',5'-Trimethylacetophenone 1-acetyl-2,4,5-trimethylbenzene

密度	0.975 g/mL at 25 °C(lit.)
沸点	228-229 °C(lit.)
熔点	10-11 °C
分子式	C₁₁H₁₄O
分子量	162.22800
闪点	125 °F
精确质量	162.10400
PSA	17.07000
LogP	2.81440
蒸汽压	0.027mmHg at 25°C
折射率	n20/D 1.5390(lit.)
分子结构	1、摩尔折射率：50.75 2、摩尔体积（cm³/mol）：169.7 3、等张比容（90.2K）：405.3 4、表面张力（dyne/cm）：32.4 5、介电常数：无可用的 6、极化率（10^-24cm³）：20.12 7、单一同位素质量：162.104465Da 8、标称质量：162Da 9、平均质量：162.2283Da
计算化学	1、疏水参数计算参考值（XlogP）：2.7 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：1 5、互变异构体数量：2 6、拓扑分子极性表面积（TPSA）：17.1 7、重原子数量：12 8、表面电荷：0 9、复杂度：174 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
更多	1. 性状：液体 2. 密度（g/mL,20ºC）：0.986 3. 相对密度（20℃，4℃）：0.986 4. 熔点（ºC）：10.5 5. 沸点（ºC）：246.5 6. 常温折射率（n²⁰）：1.5175 7. 折射率：n 20/D 1.5390(lit.) 8. 闪点（°F）：125 9. 气相标准燃烧热(焓)(kJ·mol^-1)：-6140.5 10. 气相标准声称热(焓)( kJ·mol^-1) ：-189.0 11. 液相标准燃烧热(焓)(kJ·mol^-1)：-6077.3 12. 液相标准声称热(焓)( kJ·mol^-1)：-252.2 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：不能溶解的

Name:	2 4 5 -Trimethylacetophenone 97% Material Safety Data Sheet
Synonym:	1-(2,4,5-Trimethylphenyl)-1-Ethanon
CAS:	2040-07-5

Section 1 - Chemical Product MSDS Name:2 4 5 -Trimethylacetophenone 97% Material Safety Data Sheet
Synonym:1-(2,4,5-Trimethylphenyl)-1-Ethanon

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2040-07-5	2',4',5'-Trimethylacetophenone	97	218-036-2

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.
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. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2040-07-5: 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: clear yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 10.00 - 11.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0040g/cm3
Molecular Formula: C11H14O
Molecular Weight: 162.23

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
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# 2040-07-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2',4',5'-Trimethylacetophenone - 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# 2040-07-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2040-07-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2040-07-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

通常来说对水是无害的，若无政府许可，勿将材料排入周围环境。

风险声明 (欧洲)	10
安全声明 (欧洲)	S16-S26-S36
危险品运输编码	UN 1993 3/PG 3
WGK德国	3
海关编码	2914399090

95-63-6

108-24-7

2040-07-5

文献：Journal of the American Chemical Society, , vol. 52, p. 2959,2963 Journal of the American Chemical Society, , vol. 59, p. 804

34589-46-3

2040-07-5

文献：Journal of the American Chemical Society, , vol. 52, p. 2959,2963

95-63-6

75-36-5

2040-07-5

文献：Journal fuer Praktische Chemie (Leipzig), , vol. <2> 41, p. 486 Journal fuer Praktische Chemie (Leipzig), , vol. <2> 43, p. 143

上游产品 4
95-63-6 108-24-7 34589-46-3 75-36-5
下游产品 5
2047-21-4 528-90-5 89-05-4 17851-27-3
87558-98-3

海关编码	2914399090
中文概述	2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 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
Summary	2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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