2040-07-5 (2',4',5'-三甲基苯乙酮,2',4',5'-Trimethylacetophenone)

快速询单

结构式：

2',4',5'-三甲基苯乙酮MOL文件

CAS号：

2040-07-5

中文名称：

2',4',5'-三甲基苯乙酮

英文名称：

2',4',5'-Trimethylacetophenone

分子式：

C₁₁H₁₄O

分子量：

162.228263378143

2',4',5'-三甲基苯乙酮(2040-07-5)名称与标识符

名称

中文别名：

2',4',5'-三甲基苯乙酮;2`,4`,5`-三甲基苯乙酮;2’,4’,5’-三甲基苯乙酮;2,4,5-三甲基苯乙酮;2,4,5-三甲基苯乙酮, 98+%;2',4',5'-三甲基苯乙酮,97%;1-(2,4,5-三甲基苯基)乙-1-酮;1-(2,4,5-三甲基苯基)乙酮;苯乙酮,2',4',5'-三甲基-;乙酮,1-(2,4,5-三甲基苯基)-;

英文别名：

1-(2,4,5-trimethylphenyl)ethan-1-one;2',4',5'-Trimethylacetophenone;1-(2,4,5-TRIMETHYLPHENYL)ETHANONE;1-(2,4,5-Trimethyl-phenyl)-aethanon;1-(2,4,5-trimethyl-phenyl)-ethanone;1.2.4-Trimethyl-5-acetyl-benzol;1-acetyl-2,4,5-trimethylbenzene;2,3-DIHYDRO-4-THIEN-2-YL-1H-1,5-BENZODIAZEPINE;51-Oxo-1.2.4-trimethyl-5-aethyl-benzol;Acetophenone,2',4',5'-trimethyl;ETHANONE,1-(2,4,5-TRIMETHYLPHENYL);Methyl-(2.4.5-trimethyl-phenyl)-keton;2,4,5-TRIMETHYLACETOPHENONE;1-(2,4,5-Trimethylphenyl)-ethanone;Acetophenone, 2',4',5'-trimethyl-;1-(2,4,5-TRIMETHYLPHENYL)-1-ETHANONE;2,4,5-TRIMETHYLACETOPHENONE 97%;2,4,5-Trimethyl-acetophenone;1-(2, 4, 5-trimethylphenyl)ethanone;SCHEMBL3203530;LS-02185;CS-0204263;ETHYL7-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE;F0001-0721;JV1NB36J5A;?2',4',5'-TRIMETHYLACETOPHENONE;Acetophenone,4',5'-trimethyl-;NSC833;2040-07-5;FT-0633989;MFCD00017244;DTXSID30174349;NSC-833;NSC 833;EINECS 218-036-2;NS00046384;EN300-21049;Ethanone,4,5-trimethylphenyl)-;UNII-JV1NB36J5A;2',5'-Trimethylacetophenone;ETHANONE, 1-(2,4,5-TRIMETHYLPHENYL)-;AKOS000120614;DTXCID1096840;2'',4'',5''-Trimethylacetophenone;1(2,4,5Trimethylphenyl)ethan1one;ALBB-005962;DB-045206;G82746;STK500502;

标识符

MDL：

MFCD00017244

InChIKey：

GENBEGZNCBFHSU-UHFFFAOYSA-N

Inchi：

1S/C11H14O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6H,1-4H3

SMILES：

O=C(C)C1=CC(C)=C(C)C=C1C

BRN：

2042909

2',4',5'-三甲基苯乙酮(2040-07-5)物化性质

实验特性

LogP : 2.81440
PSA : 17.07000
折射率 : n20/D 1.5390(lit.)
沸点 : 228-229 °C(lit.)
熔点 : 10-11 °C
闪点 : 125 °F
颜色与性状 : 液体
溶解性 : 不能溶解的
密度 : 0.975 g/mL at 25 °C(lit.)

计算特性

精确分子量 : 162.10400
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 1
同位素质量 : 162.104
重原子数量 : 12
复杂度 : 174
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.7
互变异构体数量 : 2
表面电荷 : 0
拓扑分子极性表面积 : 17.1

2',4',5'-三甲基苯乙酮(2040-07-5)安全信息

WGK Germany： 3
安全说明： S16-S26-S36
风险术语： R10
危险品运输编号： UN 1993 3/PG 3
危险类别码： 10
HazardClass： IRRITANT

2',4',5'-三甲基苯乙酮(2040-07-5)海关数据

海关编码：

2914399090

海关数据：

中国海关编码：

2914399090

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%

2',4',5'-三甲基苯乙酮(2040-07-5)推荐厂家更多厂家(9)

公司名称	手机号/电话	联系人	QQ	询单
上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
上海一基实业有限公司	13311756052 021-60526763 13311756052 13311756131	胡经理	2355265332	询单
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赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
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JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
深圳市中发源生物科技有限公司	18129803827 0755-23105005	林小姐	3158423203	询单

2',4',5'-三甲基苯乙酮(2040-07-5)相关文献

1. 141. Mechanism of aromatic side-chain reactions, with special reference to the polar effects of substituents. Part X. Physical and chemical evidence relating to the polar effect of o-methyl substituents in derivatives of the type C6H2Me3·CO·CH2R
John W. Baker,William T. Tweed J. Chem. Soc. 1941 796
2. 625. Electric dipole moment studies on the conjugation and stereochemistry of some unsaturated ketones and aldehydes. Parts I and II
J. Breeze Bentley,K. B. Everard,Ralph J. B. Marsden,L. E. Sutton J. Chem. Soc. 1949 2957
3. Organic chemistry
J. Chem. Soc. Abstr. 1907 92 A373
4. Synthesis and catalytic properties of large-pore Sn-β and Al-free Sn-β molecular sieves
N. K. Mal,A. V. Ramaswamy Al-free Sn-β molecular sieves. N. K. Mal A. V. Ramaswamy Chem. Commun. 1997 425

2',4',5'-三甲基苯乙酮(2040-07-5) MSDS

基础信息

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