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53732-41-5

53732-41-5结构式
53732-41-5结构式

化源商城直购

英文名 [(4S,5S)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
英文别名 (4S,5S)-(−)-2-Methyl-5-phenyl-2-oxazoline-4-methanol
EINECS 258-730-2
MFCD00064825
熔点 61-65 ℃(lit.)
分子式 C11H13NO2
分子量 191.22600
精确质量 191.09500
PSA 41.82000
LogP 0.97280
储存条件

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性 遵照规定使用和储存则不会分解。
分子结构

1、 摩尔折射率:53.24

2、 摩尔体积(cm3/mol):160.2

3、 等张比容(90.2K):406.5

4、 表面张力(dyne/cm):41.4

5、 极化率:21.10

6、 介电常数:未确定

计算化学

1.疏水参数计算参考值(XlogP):0.7

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积41.8

7.重原子数量:14

8.表面电荷:0

9.复杂度:221

10.同位素原子数量:0

11.确定原子立构中心数量:2

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: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):61-65

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

Name: (4S 5S)-(-)-2-Methyl-5-Phenyl-2-Oxa-Zoline-4-Methanol Material Safety Data Sheet
Synonym: None known
CAS: 53732-41-5
Section 1 - Chemical Product MSDS Name:(4S 5S)-(-)-2-Methyl-5-Phenyl-2-Oxa-Zoline-4-Methanol Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
53732-41-5 (4S,5S)-(-)-2-Methyl-5-Phenyl-2-Oxa-Zo ca 100 258-730-2
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:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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.
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:

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:
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:
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# 53732-41-5: 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: Solid
Color: almost 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: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H13NO2
Molecular Weight: 191.0965

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.
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# 53732-41-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(4S,5S)-(-)-2-Methyl-5-Phenyl-2-Oxa-Zoline-4-Methanol - 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: Not available.
Risk Phrases:
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 53732-41-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 53732-41-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 53732-41-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

该物质对环境可能有危害,对水体应给予特别注意。

个人防护装备 Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
安全声明 (欧洲) 22-24/25
危险品运输编码 NONH for all modes of transport
海关编码 2934999090

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53732-41-5结构式

53732-41-5

文献:DE830956 , ; DRP/DRBP Org.Chem. DE823597 , ; DRP/DRBP Org.Chem.

~%

53732-41-5结构式

53732-41-5

文献:DE830956 , ; DRP/DRBP Org.Chem. Yakugaku Zasshi, , vol. 72, p. 310 Chem.Abstr., , p. 6369

~%

53732-41-5结构式

53732-41-5

文献:DE830956 , ; DRP/DRBP Org.Chem. DE823597 , ; DRP/DRBP Org.Chem.

~%

53732-41-5结构式

53732-41-5

文献:Anales de la Real Sociedad Espanola de Fisica y Quimica, , vol. 52, p. 647,649

~%

53732-41-5结构式

53732-41-5

文献:Yakugaku Zasshi, , vol. 72, p. 310 Chem.Abstr., , p. 6369

~%

53732-41-5结构式

53732-41-5

文献:Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 240, p. 321
海关编码 2934999090
中文概述 2934999090. 其他杂环化合物. 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
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%