烟酰乙酸甲酯

  • 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

烟酰乙酸甲酯 基本信息

中文名称:
烟酰乙酸甲酯 
中文别名:
烟酰乙酸甲酯;
3-氧代-3-吡啶-3-基丙酸甲酯;
FEMA No. 3575;
(4R)-4-methyloctanoate;
(4S)-4-methyloctanoate;
4-methyloctanoic acid;
1'-Biphenyl]-4,4'-Diamine,3,3',5,5'-Tetramethyl-[;
1'-Biphenyl]-4,4'-Diamine,3,3',5,5'-Tetramethyl-[1;
4,4'-Bi-2,6-Xylidine;
4,4'-Diamino-3,3',5,5'-Tetramethylbiphenyl;
3,5,3',5'-Tetramethylbenzidine;
3355TMB;
3,3',5,5'-tetramethylbiphenyl-4,4'-diamine;
N-(3,5-dimethylphenyl)-3,5-dimethylaniline;
3,3',5,5'-Tetramethyl benzidine;
3,3',5,5 
英文名称:
3-Pyridinepropanoicacid, b-oxo-, methyl ester
英文别名:
Methyl nicotinoylacetate;
methyl 3-oxo-3-pyridin-3-ylpropanoate 
CAS No.:
54950-20-8
分 子 式:
C9H9NO3
分 子 量:
179.17
精确分子量:
179.05800
PSA:
56.26000
InChI:
InChI=1/C9H9NO3/c1-13-9(12)5-8(11)7-3-2-4-10-6-7/h2-4,6H,5H2,1H3
风险术语:
R25R35
安全术语:
S24/25
分子结构式:
SDS:
查看

烟酰乙酸甲酯 物化性质

外观与性状:
白色至粉红色-褐色结晶粉末
密度:
1.189 g/cm3
熔点:
34-42 °C
沸点:
283.1ºC at 760 mmHg
闪点:
125ºC
水溶解性:
neglegible
折射率:
1.514
存储条件/存储方法:

 

密闭于2-8 ºC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:固体

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):34-42

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

烟酰乙酸甲酯 安全信息

海关代码:
2933399090
安全说明:
S24/25
安全标志:
S22:不要吸入粉尘。
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:
Xi: Irritant;

烟酰乙酸甲酯 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。

烟酰乙酸甲酯 MSDS

Name: Methyl nicotinoylacetate Material Safety Data Sheet
Synonym: None
CAS: 54950-20-8
Section 1 - Chemical Product   MSDS Name:Methyl nicotinoylacetate Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
54950-20-8 Methylnicotinoyl acetate 100.0 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:
Ingestion of large amounts may cause gastrointestinal irritation.
Inhalation:
May cause respiratory tract irritation.
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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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:
Antidote: None reported.

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.
Extinguishing Media:
Use water spray or dry chemical.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. 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:
Good general ventilation should be sufficient to control airborne levels. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Exposure Limits CAS# 54950-20-8: 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:
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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Negligible
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 39 - 42 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: neglegible in water
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 179.17

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
High temperatures.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 54950-20-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methylnicotinoyl acetate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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.
WGK (Water Danger/Protection)
CAS# 54950-20-8: No information available.
Canada
CAS# 54950-20-8 is listed on Canada's NDSL List.
CAS# 54950-20-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54950-20-8 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

烟酰乙酸甲酯 海关数据

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

烟酰乙酸甲酯 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:45.41

2   摩尔体积m3/mol150.6

3   等张比容(90.2K):390.9

4   表面张力dyne/cm45.2

5   极化率10-24cm318.00

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:4

5.互变异构体数量:3

6.拓扑分子极性表面积56.3

7.重原子数量:13

8.表面电荷:0

9.复杂度:203

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

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