(R)-2-氨基-2-甲基-4-戊烯酸; D-alpha-烯丙基丙氨酸

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学
  • 上游产品

(R)-2-氨基-2-甲基-4-戊烯酸; D-alpha-烯丙基丙氨酸 基本信息

中文名称:
(R)-2-氨基-2-甲基-4-戊烯酸; D-alpha-烯丙基丙氨酸 
中文别名:
(S)-(-)-α-烯丙基丙氨酸;
(S)-2-氨基-2-甲基-4-戊烯酸;
L-α-烯丙基丙氨酸;
(R)-2-氨基-2-甲基-4-戊烯酸 
英文名称:
4-Pentenoic acid,2-amino-2-methyl-, (2S)-
英文别名:
(S)-2-Amino-2-methylpent-4-enoic acid;
(2S)-2-amino-2-methylpent-4-enoic acid 
CAS No.:
96886-55-4
分 子 式:
C6H11NO2
分 子 量:
129.16
精确分子量:
129.07900
PSA:
63.32000
风险术语:
36/37/38
分子结构式:
SDS:
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(R)-2-氨基-2-甲基-4-戊烯酸; D-alpha-烯丙基丙氨酸 物化性质

外观与性状:
白色结晶粉末
密度:
1.067 g/cm3
沸点:
226.2ºC at 760 mmHg
折射率:
1.484

(R)-2-氨基-2-甲基-4-戊烯酸; D-alpha-烯丙基丙氨酸 安全信息

危险类别码:
R36/37/38
安全说明:
37/39-26
危险标志:
Xi: Irritant;

(R)-2-氨基-2-甲基-4-戊烯酸; D-alpha-烯丙基丙氨酸 MSDS

Name: (S)-(-)-2-Amino-2-Methyl-4-Pentenoic Acid Monohydrate 99+% e.e. Material Safety Data Sheet
Synonym: L-alpha-Allylalanin
CAS: 96886-55-4
Section 1 - Chemical Product   MSDS Name:(S)-(-)-2-Amino-2-Methyl-4-Pentenoic Acid Monohydrate 99+% e.e. Material Safety Data Sheet
Synonym:L-alpha-Allylalanin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
96886-55-4 (S)-(-)-2-Amino-2-Methyl-4-Pentenoic A >99 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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:
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. 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. 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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 96886-55-4: 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: Crystalline powder
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 283 deg C ( 541.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: 283 deg C
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H11NO2.H2O
Molecular Weight: 147.18

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 96886-55-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(S)-(-)-2-Amino-2-Methyl-4-Pentenoic Acid, Monohydrate - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable gloves and eye/face
protection.
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# 96886-55-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 96886-55-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 96886-55-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

(R)-2-氨基-2-甲基-4-戊烯酸; D-alpha-烯丙基丙氨酸 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):-2.1

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:9

8.表面电荷:0

9.复杂度:133

10.同位素原子数量:0

11.确定原子立构中心数量:1

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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