2-(4-甲苯基)丙二醛

2-(4-甲苯基)丙二醛 基本信息
CAS号 27956-35-0 分子式 C10H10O2
分子量 162.18500 精确质量  162.06800
PSA  34.14000 LogP  1.47640

基本信息 展开↓

CAS号:
27956-35-0
3D弹球模型:
立即前往扯扯看
分子式:
C10H10O2
分子量:
162.18500
中文名称:
2-(4-甲苯基)丙二醛
英文名称:
2-(4-methylphenyl)propanedial
中文别名:
2-(4-甲苯基)丙二醛;
2-(4-甲基苯基)丙二醛
英文别名:
2-(4-methylphenyl)propanedial;
2-(4-methylphenyl)malonaldehyde;
2-(4-methylphenyl)propane-1,3-dial;
2-p-tolylmalondialdehyde;
methylphenylmalonaldehyde;
2-(4-methyl-phenyl)-malonodialdehyde;
2-(2-{2-[(11-SULFANYLUNDECYL)OXY]ETHOXY}ETHOXY)ETHAN-1-OL;
4-(1,3-Dioxoprop-2-yl)toluene;
2-(4-tolyl)malondialdehyde;
2-(4-methylphenyl)malondialdehyde
精确分子量/精确质量:
162.06800
极性分子表面积/PSA:
34.14000
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。
贝尔斯坦号/MDL:
MFCD00216506
InChI:
The Key: TXQHUJPDCFREEC-UHFFFAOYSA-N

物化性质展开↓

密度:
1.119g/cm3
熔点:
128-134ºC
沸点:
322.9ºC at 760mmHg
闪点:
137ºC
折射率:
1.567
蒸汽压:
0.000111mmHg at 25°C
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):128-134

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

海关代码:
2912299000
危险类别码:
34
安全说明:
45-36/37/39-25
安全标志:
S25:避免接触眼睛。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C: Corrosive;

合成路线

  • 622-47-9

    对甲基苯乙酸

  • 27956-35-0

    2-(4-甲苯基)丙二醛

毒理性

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。

MSDS 展开↓

Name: 2-(4-Methylphenyl)malondialdehyde 95+% (nmr) Material Safety Data Sheet
Synonym:
CAS: 27956-35-0
Section 1 - Chemical Product   MSDS Name:2-(4-Methylphenyl)malondialdehyde 95+% (nmr) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
27956-35-0 2-(4-methylphenyl)malondialdehyde unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower lids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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.
Extinguishing Media:
Use agent most appropriate to extinguish fire.
Autoignition Temperature: Not available.
Flash Point: Not available.
NFPA Rating: Not published.
Explosion Limits, Lower: Not available.
Upper: Not available.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Personal Protective Equipment Eyes: Wear chemical goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements must be followed whenever workplace conditions warrant a respirator's use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Not available.
Appearance: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Vapor Density: Not available.
Evaporation Rate: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 131.00 - 134.00 deg C
Decomposition Temperature: Not available.
Solubility: negligible
Specific Gravity/Density: Not available.
Molecular Formula: C10H10O2
Molecular Weight: 162.19

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 27956-35-0 unlisted.
CAS# 53868-45-4 unlisted.
LD50/LC50:
Not available.
Not available.
Carcinogenicity:
2-(4-methylphenyl)malondialdehyde - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
2-(4-METHYLPHENYL)MALONDIALDEHYDE, 95+%(NMR) - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  For further information, contact Fisher Scientific.

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
CDG/CPL
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
IATA
Shipping Name: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Dangerous Goods Code: 8(65C)
UN Number: 1759
Canadian TDG
No information available.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident of if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 27956-35-0:
CAS# 53868-45-4:
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
WHMIS: Not available.
CAS# 27956-35-0 is not listed on Canada's Ingredient Disclosure List.
CAS# 53868-45-4 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 27956-35-0 is not listed on the TSCA inventory.
It is for research and development use only.
CAS# 53868-45-4 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:2912299000

概述:
2912299000. 其他不含其他含氧基的环醛. 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, 四聚甲醛报明外观
摘要/Summary:
2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1   摩尔折射率:45.63

2   摩尔体积m3/mol150.4

3   等张比容(90.2K):377.7

4   表面张力dyne/cm39.7

5   极化率10-24cm318.09

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:2

4.可旋转化学键数量:3

5.互变异构体数量:2

6.拓扑分子极性表面积34.1

7.重原子数量:12

8.表面电荷:0

9.复杂度:149

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

上下游相关产品

上游产品

  • 622-47-9

    对甲基苯乙酸

下游产品

  • 37921-11-2

    1-methyl-4-(4-methylphenyl)pyrazole

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便