D-赤藓糖

D-赤藓糖 基本信息
CAS号 583-50-6 分子式 C4H8O4
分子量 120.10400 精确质量  120.04200
PSA  77.76000 LogP  -2.10060

等价的CAS号:

7558-94-3,95-43-2,95-44-3,533-49-3,583-50-6,1758-51-6,29825-68-1,29884-64-8,38982-45-5

基本信息 展开↓

CAS号:
583-50-6
3D弹球模型:
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分子式:
C4H8O4
分子量:
120.10400
中文名称:
D-赤藓糖
英文名称:
D-erythrose
中文别名:
D-赤藓糖;
D(-)-赤藻糖;
D-(-)-赤藓糖
英文别名:
D-erythrose;
2-Methylmalic acid;
D-erythro-2,3,4-Trihydroxy-butyraldehyd;
D-Citramalate;
2-(3-METHYLPHENOXY)-PROPANAMIDE
精确分子量/精确质量:
120.04200
极性分子表面积/PSA:
77.76000
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:
MFCD00006970
EINECS:
209-505-2
PubChem:
24894651
BRN:
1721698
InChI:
InChI=1/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3-,4-/m1/s1

生产制备方法及用途展开↓

用途


1. 用途 酶化学研究中糖的比色测定。

物化性质展开↓

外观与性状:
透明淡黄色糖浆
密度:
1.698 g/cm3
熔点:
<25℃
沸点:
290.6ºC at 760 mmHg
闪点:
129.5ºC
折射率:
1.498
存储条件/存储方法:

2. 贮藏 本品应密封于阴凉干燥处保存。

其它信息:

一、物性数据

1. 性状 无色糖浆状液体。能缓慢还原冷斐林氏溶液。能被钠汞齐还原成无旋光的赤藓醇,遇苯硫异羟肟酸时无醛的反应,遇酵母不发酵。

2. 溶于水、乙醇和甲醇。

3. 旋光度:-33c=2 in water 72H)。

安全信息展开↓

危险类别码:
R36/37/38
安全说明:
S24/25
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
S24/25:防止皮肤和眼睛接触。
危险标志:
Xi

合成路线查看所有的合成路线

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    D-赤藓糖

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    D-(-)-阿拉伯糖

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    D-赤藓糖

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    L(+)-赤藓酮糖(水合)

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    菲,1,2,3,4,4a,9,10,10a-八氢-7-甲氧基-1,1,4a,6-四甲基-8-(1-甲基乙基)-,(4aS,10aS)-

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    D-赤藓糖

化学图谱

  1. D-赤藓糖红外图谱(IR1)

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MSDS 展开↓

Name: d-(-)-Erythrose 85% Material Safety Data Sheet
Synonym: (R)-2,3,4-Trihydroxybutana
CAS: 583-50-6
Section 1 - Chemical Product   MSDS Name:d-(-)-Erythrose 85% Material Safety Data Sheet
Synonym:(R)-2,3,4-Trihydroxybutana

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
583-50-6 D-(-)-Erythrose, 85% 85% 209-505-2
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.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Not available.

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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Get medical aid. 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 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 contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.)

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.
Exposure Limits CAS# 583-50-6: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
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: Paste
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble
Specific Gravity/Density:
Molecular Formula: C4H8O4
Molecular Weight: 120.10

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Exposure to moist air or water.
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# 583-50-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
D-(-)-Erythrose, 85% - 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# 583-50-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 583-50-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 583-50-6 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


 

分子性质数据:

1、   摩尔折射率:25.28

2、   摩尔体积(m3/mol):85.1

3、   等张比容(90.2K):245.1

4、   表面张力(dyne/cm):68.6

5、   极化率10-24cm3):10.02

计算化学数据


四、计算化学数据:

1、   疏水参数计算参考值(XlogP):-1.9

2、   氢键供体数量:3

3、   氢键受体数量:4

4、   可旋转化学键数量:0

5、   拓扑分子极性表面积(TPSA):69.9

6、   重原子数量:8

7、   表面电荷:0

8、   复杂度:84.1

9、   同位素原子数量:0

10、   确定原子立构中心数量:2

11、   不确定原子立构中心数量:1

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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