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96702-03-3生产厂家

96702-03-3价格

96702-03-3

96702-03-3结构式
96702-03-3结构式
  • 常用中文名:四氢嘧啶(依克多因)
  • 常用英文名:ectoine
  • CAS号:96702-03-3
  • 分子式:C6H10N2O2
  • 分子量:142.156
  • 相关类别: 医药中间体 杂环化合物 嘧啶类化合物 甲基嘧啶
  • 发布时间:2018-05-16 08:00:00
  • 更新时间:2024-01-02 09:10:45
  • Ectoine 是一种天然的细胞保护剂,是生活在极其恶劣的环境条件下的细菌所产生的氨基酸衍生物。Ectoine 用作渗透调节相容性溶质,可增加皮肤表面的水合作用并稳定脂质层,在皮肤护理中常用。Ectoine 具有良好的安全性,可用于治疗过敏性鼻炎。

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中文名 四氢嘧啶
英文名 ectoine
中文别名 四氢甲基嘧啶羧酸
(S)-2-甲基-1,4,5,6-四氢甲基嘧啶-4-羧酸
依克多因
英文别名 ECTOINE
Pyrostatine B
(4S)-2-Methyl-1,4,5,6-tetrahydro-4-pyrimidinecarboxylic acid
4-Pyrimidinecarboxylic acid, 3,4,5,6-tetrahydro-2-methyl-, (4S)-
Ectoine sodium salt monohydrate
2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
ectoine zwitterion
ECTOIN
MFCD03419286
RonaCare
描述 Ectoine 是一种天然的细胞保护剂,是生活在极其恶劣的环境条件下的细菌所产生的氨基酸衍生物。Ectoine 用作渗透调节相容性溶质,可增加皮肤表面的水合作用并稳定脂质层,在皮肤护理中常用。Ectoine 具有良好的安全性,可用于治疗过敏性鼻炎。
相关类别
靶点

Bacterial[1]

参考文献

[1]. Werkhäuser N, et al. Treatment of allergic rhinitis with ectoine containing nasal spray and eye drops in comparison with azelastine containing nasal spray and eye drops or with cromoglycic Acid containing nasal spray. J Allergy (Cairo). 2014;2014:176597.

[2]. Graf R, et al. The multifunctional role of ectoine as a natural cell protectant. Clin Dermatol. 2008 Jul-Aug;26(4):326-33.

密度 1.4±0.1 g/cm3
沸点 381.5±35.0 °C at 760 mmHg
熔点 ~280°
分子式 C6H10N2O2
分子量 142.156
闪点 184.5±25.9 °C
精确质量 142.074234
PSA 61.69000
LogP 0.27
外观性状 固体;White to Almost white powder to crystal
蒸汽压 0.0±1.9 mmHg at 25°C
折射率 1.597
储存条件

密封储存,储存于阴凉、干燥的库房。

稳定性

常温常压下稳定,避免与强氧化剂接触。

计算化学

1、 疏水参数计算参考值(XlogP):-0.8

2、 氢键供体数量:2

3、 氢键受体数量:4

4、 可旋转化学键数量:1

5、 互变异构体数量:2

6、 拓扑分子极性表面积(TPSA):61.7

7、 重原子数量:10

8、 表面电荷:0

9、 复杂度:177

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

更多

1. 性状:白色粉末

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):未确定

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,2mmHg):未确定

7. 折射率(n20/D):未确定

8. 闪点(ºC):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,25ºC):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

Name: Ectoine sodium salt monohydrate Material Safety Data Sheet
Synonym: (S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid sodium salt monohydrat
CAS: 96702-03-3
Section 1 - Chemical Product MSDS Name:Ectoine sodium salt monohydrate Material Safety Data Sheet
Synonym:(S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid sodium salt monohydrat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
96702-03-3 Ectoine sodium salt monohydrate ca. 100 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Wash mouth out with 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. Do NOT use mouth-to-mouth resuscitation.
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 water spray, dry chemical, carbon dioxide, or chemical foam.

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:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 96702-03-3: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 280 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:
Molecular Formula: C6H10N2O2
Molecular Weight: 142.2

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 96702-03-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ectoine sodium salt 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 96702-03-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 96702-03-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 96702-03-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
个人防护装备 dust mask type N95 (US);Eyeshields;Gloves
危害码 (欧洲) Xi: Irritant;
风险声明 (欧洲) R36/37/38
安全声明 (欧洲) S26-S37/39
危险品运输编码 NONH for all modes of transport
WGK德国 1