alpha-Methyl-DL-phenylalanine
- 中文别名:alpha-甲基-DL-苯丙氨酸
- 中文释义:alpha-甲基-DL-苯丙氨酸;2-氨基-2-甲基-3-苯基丙酸;α-甲基-DL-苯丙氨酸
- 英文别名:alpha-Methyl-DL-phenylalanine;
2-amino-2-methyl-3-phenylpropanoic acid
- CAS No.:1132-26-9
- 分子式:C10H13NO2
- 分子量:179.22
- 精确分子量:179.09500
- PSA:63.32000
- MDL:MFCD00010512
- InChI:InChI=1/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9+/m0/s1
- 分子结构式:
物化性质
- 外观与性状:
- 白色结晶粉末
- 密度:
- 1.158 g/cm3
- 熔点:
- 293-294ºC (dec.)
- 沸点:
- 306ºC at 760 mmHg
- 闪点:
- 138.9ºC
- 折射率:
- 1.561
- 蒸汽压:
- 0.000345mmHg at 25°C
- 存储条件/存储方法:
保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置
- 稳定性相关:
如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物
- 其它信息:
1. 性状:未确定。
2. 密度(g/mL,25℃):未确定
3. 相对蒸汽密度(g/mL,空气=1):未确定
4. 熔点(ºC):293-294
5. 沸点(ºC,常压):未确定
6. 沸点(ºC,4mm):未确定
7. 折射率(n20/D):未确定
8. 闪点(ºF):未确定
9. 比旋光度(º):未确定
10. 自燃点或引燃温度(ºC):未确定
11. 蒸气压(mmHg,20ºC):未确定
12. 饱和蒸气压(kPa,60ºC):未确定
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:未确定
安全信息
- 外观与性状:
- 白色结晶粉末
- 密度:
- 1.158 g/cm3
- 熔点:
- 293-294ºC (dec.)
- 沸点:
- 306ºC at 760 mmHg
- 闪点:
- 138.9ºC
- 折射率:
- 1.561
- 蒸汽压:
- 0.000345mmHg at 25°C
- 存储条件/存储方法:
保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置
- 稳定性相关:
如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物
- 其它信息:
1. 性状:未确定。
2. 密度(g/mL,25℃):未确定
3. 相对蒸汽密度(g/mL,空气=1):未确定
4. 熔点(ºC):293-294
5. 沸点(ºC,常压):未确定
6. 沸点(ºC,4mm):未确定
7. 折射率(n20/D):未确定
8. 闪点(ºF):未确定
9. 比旋光度(º):未确定
10. 自燃点或引燃温度(ºC):未确定
11. 蒸气压(mmHg,20ºC):未确定
12. 饱和蒸气压(kPa,60ºC):未确定
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:未确定
毒理性
- 生态数据:
对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。
MSDS
Material Safety Data Sheet
Section1. Identification of the substance
Product Name:Alpha-Methyl-DL-phenylalanine
Synonyms:
Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
Section3. Composition/information on ingredients.
Ingredient name:Alpha-Methyl-DL-phenylalanine
CAS number:1132-26-9
Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.
Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.
Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:
Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C10H13NO2
Molecular weight:179.2
Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.
Section11. Toxicological information
No data.
Section12. Ecological information
No data.
Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.
Section14. Transportation information
Non-harzardous for air and ground transportation.
Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码:2922499990
- 概述:
- 2922499990 其他氨基酸及其酯及它们的盐(含有一种以上含氧基的除外). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%
- 申报要素:
- 品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
- 监管条件:
- A.入境货物通关单B.出境货物通关单
- 检验检疫:
- P.进境动植物、动植物产品检疫Q.出境动植物、动植物产品检疫R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
- 摘要/Summary:
- HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:50.13
2、 摩尔体积(m3/mol):153.6
3、 等张比容(90.2K):409.3
4、 表面张力(dyne/cm): 50.4
5、 介电常数:无可用
6、 偶极距(10-24cm3):无可用
7、 极化率:19.87
计算化学数据
1.疏水参数计算参考值(XlogP):-1.2
2.氢键供体数量:2
3.氢键受体数量:3
4.可旋转化学键数量:3
5.互变异构体数量:无
6.拓扑分子极性表面积63.3
7.重原子数量:13
8.表面电荷:0
9.复杂度:187
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:1
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