阿罗糖

阿罗糖 基本信息
CAS号 7635-11-2 分子式 C6H12O6
分子量 180.15600 精确质量  180.06300
PSA  118.22000 LogP  -3.37880

等价的CAS号:

50-99-7,59-23-4,921-60-8,1949-88-8,1990-29-0,2152-76-3,2595-97-3,2595-98-4,3458-28-4,4205-23-6,5934-56-5,5978-95-0,5987-68-8,6027-89-0,6038-51-3,7635-11-2,10030-80-5,15572-79-9,19163-87-2,23567-25-1,26566-61-0,30077-17-9,31103-86-3,39665-52-6,40866-07-7,58367-01-4,58407-05-9,58407-06-0,83198-69-0,83198-70-3,83198-71-4,93780-23-5,145920-48-5

基本信息 展开↓

CAS号:
7635-11-2
3D弹球模型:
立即前往扯扯看
分子式:
C6H12O6
分子量:
180.15600
中文名称:
阿罗糖
英文名称:
L-Allose
中文别名:
阿罗糖;
L(-)-阿洛糖
英文别名:
L-Allose;
L(-)-ALLOSE;
L-(-)-Mannose;
L-(-)-ALLOSE;
L-ALLOSE, L-ALLOPYRANOSE
精确分子量/精确质量:
180.06300
极性分子表面积/PSA:
118.22000
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。
贝尔斯坦号/MDL:
MFCD00085373
EINECS:
231-565-3
InChI:
The Key: GZCGUPFRVQAUEE-AZGQCCRYSA-N

物化性质展开↓

外观与性状:
灰白色固体
密度:
1.581 g/cm3
熔点:
127-129ºC
沸点:
527.1ºC at 760 mmHg
闪点:
286.7ºC
折射率:
1.573
存储条件/存储方法:

 

稳定性相关:

 

其它信息:

1.      性状:灰白色结晶性粉末

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):127-129

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,14mmHg):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,217ºC):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

安全信息展开↓

安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

MSDS 展开↓

Name: l-(-)-Allose 99% Material Safety Data Sheet
Synonym: None
CAS: 7635-11-2
Section 1 - Chemical Product   MSDS Name:l-(-)-Allose 99% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
7635-11-2 L-(-)-Allose, 99% 99% 231-565-3
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
No information regarding eye irritation and other potential effects was found.
Skin:
Non-irritating to the skin.
Ingestion:
Expected to be a low ingestion hazard.
Inhalation:
No hazard expected in normal industrial use.
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. If irritation develops, get medical aid.
Skin:
Get medical aid if irritation develops or persists. Flush skin with plenty of soap and water.
Ingestion:
Wash mouth out with water. Get medical aid if irritation or symptoms occur.
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 if cough or other symptoms appear.
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.
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.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Good general ventilation should be sufficient to control airborne levels.
Exposure Limits CAS# 7635-11-2: 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: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 127 - 129 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: C6H12O6
Molecular Weight: 180.16

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 7635-11-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
L-(-)-Allose, 99% - 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# 7635-11-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7635-11-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7635-11-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:37.54

2、摩尔体积(cm3/mol):113.9

3、等张比容(90.2K):352.9

4、表面张力(dyne/cm):92

5、介电常数:无可用的

6、极化率(10-24cm3):14.88

7、单一同位素质量:180.063388 Da

8、标称质量:180 Da

9、平均质量:180.1559 Da

计算化学数据


1、   疏水参数计算参考值(XlogP):-2.9

2、   氢键供体数量:5

3、   氢键受体数量:6

4、   可旋转化学键数量:6

5、   互变异构体数量:6

6、   拓扑分子极性表面积(TPSA):118

7、   重原子数量:12

8、   表面电荷:0

9、   复杂度:138

10、   同位素原子数量:0

11、   确定原子立构中心数量:4

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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