L-赤藓糖

L-赤藓糖 基本信息
CAS号 533-49-3 分子式 C4H8O4
分子量 120.10400 精确质量 　120.04200
PSA 　77.76000 LogP 　-2.10060
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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
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
533-49-3
3D弹球模型：
立即前往扯扯看
分子式：
C4H8O4
分子量：
120.10400
中文名称：
L-赤藓糖
英文名称：
L-(+)-ERYTHROSE
中文别名：
L-赤藓糖;
3,4-(Methylenedioxy)phenol;
(3,4-Methylenedioxyphenol);
5-Hydroxy-1,3-benzodioxole;
3,4-Methylenedioxyphenol;
3,4-(Methylenedioxy) phenol;
Sesamol;
6-Amino benzothiazole;
6-Aminobenzothiazole;
Chrysoidine hydrochloride;
Chrysoidine Y;
CHYSOIDINE G;
4-[(Z)-phenyldiazenyl]benzene-1,3-diamine hydrochloride;
Chrysoidin;
Sulfarlem;
Sulfogal;
Tiopropen;
Tiotrifar;
Trithio-(p-methoxyphenyl)propene;
Trithioanethole;
UNII-QUY32964DJ;
3H-1,2-Dithiole-3-thione, 5-(4-methoxyphenyl)-;
3H-1,2-Dithiole-3-thione, 5-(p-methoxyphenyl)-;
Anethole Trithione;
Soluble fluorescein;
Uranine A Extra;
Uranine K;
Uranine O;
Uranine SS;
Uranine USP XII;
Uranine WSS;
Uranine Yellow;
Yellow no. 8;
3',6'-Dihydroxy-spiro[3H-isobenzofuran-1,9'-xanthen]-3-one disodium salt;
3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-(9H)xanthene]-3-one, disodium salt;
3,6-Dihydroxyxanthene-9-spiro-1'-3'H-isobenzofuran-3'-one;
3,6-Dihydroxyxanthene-9-spiro-1'-3'H-isobenzofuran-3'-one dipotassium salt;
3,6-Dihydroxyxanthene-9-spiro-1'-3'H-isobenzofuran-3'-one disodium salt;
9-(o-Carboxyphen
英文别名：
L-(+)-ERYTHROSE;
L-erythro-2,3,4-Trihydroxy-butyraldehyd;
(2S,3S)-2,3,4-Trihydroxybutanal;
D-erythrose
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：
MFCD00064377
EINECS：
208-567-8
PubChem：
24894372
BRN：
1721697
InChI：
InChI=1/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4+/m1/s1

物化性质展开↓

外观与性状：
透明淡黄色液体
密度：
1.41 g/cm3
熔点：
164ºC
沸点：
311.1ºC at 760 mmHg
闪点：
156.2ºC
折射率：
1.505
存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。

稳定性相关：

常温常压下稳定，避免与不相容材料，热源接触。
与强氧化剂反应。

其它信息：

1.      性状：浅黄色透明液体

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）：164

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC,12mmHg）：未确定

7.      折射率(n20/D)：未确定

8.      闪点（ºC）：113

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（kPa,25 ºC）：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：与水溶解

安全信息展开↓

海关代码：
2912491000
安全说明：
S24/25
安全标志：
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

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    L-赤藓糖

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    L-赤藓糖

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  • 533-49-3

    L-赤藓糖

MSDS 展开↓

Name: L(+)-Erythrose 96% Material Safety Data Sheet
Synonym:
CAS: 533-49-3
Section 1 - Chemical Product   MSDS Name:L(+)-Erythrose 96% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
533-49-3 L(+)-Erythrose 96% 208-567-8
Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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.
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.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 533-49-3: Personal Protective Equipment Eyes: Not available.
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: Clear liquid
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 164 deg C
Autoignition Temperature: Not available.
Flash Point: > 230 deg C (> 446.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C4H8O4
Molecular Weight: 120.11
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat.
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# 533-49-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
L(+)-Erythrose - 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
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# 533-49-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 533-49-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 533-49-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2912491000

概述：
2912491000. 醛醇. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
摘要/Summary：
2912491000. other aldehyde-alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:-2.2

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:3

5.互变异构体数量:4

6.拓扑分子极性表面积77.8

7.重原子数量:8

8.表面电荷:0

9.复杂度:72.4

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

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