(-)-2,3-O-亚苄基-L-苏糖醇

(-)-2,3-O-亚苄基-L-苏糖醇 基本信息
CAS号 35572-34-0 分子式 C11H14O4
分子量 210.22600 精确质量  210.08900
PSA  58.92000 LogP  0.45380

等价的CAS号:

6382-97-4,35572-33-9,35572-34-0,58383-35-0,117558-04-0

基本信息 展开↓

CAS号:
35572-34-0
3D弹球模型:
立即前往扯扯看
分子式:
C11H14O4
分子量:
210.22600
中文名称:
(-)-2,3-O-亚苄基-L-苏糖醇
英文名称:
(-)-2,3-O-BENZYLIDENE-L-THREITOL
中文别名:
(-)-2,3-O-亚苄基-L-苏糖醇;
(-)-2,3-O-亚苄基-l-异赤醇
英文别名:
(-)-2,3-O-BENZYLIDENE-L-THREITOL;
Pseudoephedroxane;
3,4-dimethyl-5-phenyl-oxazolidin-2-one;
2,3-O-benzylidene-L-threitol
精确分子量/精确质量:
210.08900
极性分子表面积/PSA:
58.92000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: AEJRVTSEJAYBNR-JGPRNRPPSA-N

物化性质展开↓

密度:
1.221g/cm3
熔点:
72-74ºC(lit.)
沸点:
381.1ºC at 760mmHg
闪点:
184.3ºC
折射率:
1.539
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

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:无可用

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):72-74

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

安全信息展开↓

海关代码:
2932999099
WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
22-24/25

合成路线查看所有的合成路线

  • 35572-31-7

    (4R,5R)-2-Phenyl-1,3-dioxolan-4,5-dicarbonsaeure-diethylester

  • ~85%

  • 35572-34-0

    (-)-2,3-O-亚苄基-L-苏糖醇

  • 38270-72-3

    (-)-二甲基 2,3-o-亚苄基-l-酒石酸

  • ~83%

  • 35572-34-0

    (-)-2,3-O-亚苄基-L-苏糖醇

  • 1125-88-8

    苯甲醛二甲缩醛

  • 35572-34-0

    (-)-2,3-O-亚苄基-L-苏糖醇

毒理性展开↓

生态数据:

 

 

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: (-)-2,3-O-Benzylidene-(L)-Threitol, 98% Material Safety Data Sheet
Synonym: (4S,5S)-(-)-2-Phenyl-1,3-Dioxolane-4,5-Dimethanol.
CAS: 35572-34-0
Section 1 - Chemical Product MSDS Name: (-)-2,3-O-Benzylidene-(L)-Threitol, 98% Material Safety Data Sheet
Synonym: (4S,5S)-(-)-2-Phenyl-1,3-Dioxolane-4,5-Dimethanol.
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
35572-34-0 (-)-2,3-O-Benzylidene-(L)-Threitol 98% 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:
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. Runoff from fire control or dilution water may cause pollution.
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. 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:
Keep container closed when not in use. 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# 35572-34-0: 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 minimize contact with skin.
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: 70.00 - 72.00 deg C
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: C11H14O4
Molecular Weight: 210.23
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 35572-34-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(-)-2,3-O-Benzylidene-(L)-Threitol - 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 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 35572-34-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 35572-34-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 35572-34-0 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 9/02/1997 Revision #4 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2932999099

概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 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
摘要/Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据


1   摩尔折射率:53.94

2   摩尔体积m3/mol172.1

3   等张比容(90.2K):464.8

4   表面张力dyne/cm53.1

5   极化率10-24cm321.38

计算化学数据


1.疏水参数计算参考值(XlogP):5

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:4

5.互变异构体数量:2

6.拓扑分子极性表面积58

7.重原子数量:23

8.表面电荷:0

9.复杂度:448

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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下游产品

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