95-44-3 (L-苏阿糖,L-Threose)

CAS号:
95-44-3
中文名称:
L-苏阿糖
英文名称:
L-Threose
分子式:
C4H8O4
分子量:
120.103921890259
简介:
(2R,3S)-2,3,4-Trihydroxybutanal 是一种生化试剂,可作为生物材料或有机化合物,用于生命科学相关研究。

L-苏阿糖(95-44-3)名称与标识符

名称

中文别名:
L-苏糖;L-(+)-苏糖;L-苏阿糖;
英文别名:
L-(+)-Threose;(2R,3S)-2,3,4-Trihydroxybutanal;Butanal,2,3,4-trihydroxy-, (2R,3S)-;L -(+)-THREOSE SYRUP;L-Threose;L-Threose (~0.2 M in Water);DL-Erythrose;L-Threofuranose;L-threo-tetrose;Threose;Threose,L;UNII-MHH79K1BVR;(2R,3S)-2,3,4-Trihydroxybutanal (ACI);Butanal, 2,3,4-trihydroxy-, [R-(R*,S*)]- (ZCI);Threose, L- (8CI);L;HY-W040288;95-44-3;Q27109399;l(+)-threose;EINECS 202-419-6;F49E7756-40E6-4325-AABD-CAE8087B66F9;CHEBI:21405;SCHEMBL117909;Threose, L-;CS-W021028;GEO-04659;MHH79K1BVR;J-200002;DTXSID601017426;(2R,3S)-2,3,4-Trihydroxy-butanal; [R-(R*,S*)]-2,3,4-Trihydroxy-butanal; L-Threofuranose;DTXSID40915184;L-THREOSE [MI];YTBSYETUWUMLBZ-IMJSIDKUSA-N;AKOS016844121;

标识符

MDL:
24900465
InChIKey:
YTBSYETUWUMLBZ-IMJSIDKUSA-N
Inchi:
1S/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2/t3-,4-/m0/s1
SMILES:
[C@H](O)(CO)[C@@H](O)C=O

L-苏阿糖(95-44-3)物化性质

实验特性

  • LogP : -1.94320
  • PSA : 69.92000
  • 折射率 : 1.619
  • 沸点 : 290.6°Cat760mmHg
  • 熔点 : 162-163 ºC
  • 闪点 : 129.5°C
  • 溶解度 : 易溶 (872 g/L) (25 ºC),
  • 颜色与性状 : 糖浆
  • 比旋光度 : D20 +13.2° (c = 4.5)
  • 密度 : 1.410±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 120.04200
  • 氢键供体数量 : 3
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 120.042
  • 重原子数量 : 8
  • 复杂度 : 72.4
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -2.2
  • 拓扑分子极性表面积 : 77.8A^2

L-苏阿糖(95-44-3)安全信息

L-苏阿糖(95-44-3)国际标准相关数据

EINECS:
MFCD00066540

L-苏阿糖(95-44-3)海关数据

海关编码:
2912491000
海关数据:

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%

Summary:

2912491000. other aldehyde-alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

L-苏阿糖(95-44-3)合成路线

合成路线:1 步
反应条件:
参考文献:
Mechano-catalysis boosts glycolaldehyde conversion to tetroses over a new Zn-COF catalyst
Yang, Junxia; Fang, Xu; Ren, Guoqing; Yu, Tie, New Journal of Chemistry, 2023, 47(2), 558-562
合成路线:1 步
反应条件:
参考文献:
Rhodium-Catalyzed Decarbonylation of Aldoses
Nygaard Monrad, Rune; Madsen, Robert, Journal of Organic Chemistry, 2007, 72(25), 9782-9785
合成路线:1 步
反应条件:
参考文献:
The preparation of aldotetroses from aldopentoses via 1,1-diethylsulfonyl-3,4,5-trihydroxypent-1-enes
Hough, L.; Taylor, T. J., Journal of the Chemical Society, 1955, 1212, 1212-18
合成路线:1 步
反应条件:
参考文献:
Chemistry of α-aminonitriles. 37. The α-L-threofuranosyl-(3'→2')-oligonucleotide system ("TNA"): Synthesis and pairing properties
Schoning, Kai-Uwe; Scholz, Peter; Wu, Xiaolin; Guntha, Sreenivasulu; Delgado, Guillermo; et al, Helvetica Chimica Acta, 2002, 85(12), 4111-4153
合成路线:1 步
反应条件:
参考文献:
Methods for the production of L-threonic acid salts from L-xylonic acid
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of calcium threonate
, China, , ,
合成路线:1 步
参考文献:
The production of threose as a degradation product from L-ascorbic acid
Lopez, Mercedes G.; Feather, Milton S., Journal of Carbohydrate Chemistry, 1992, 11(6), 799-806
合成路线:1 步
参考文献:
Oxidation of carbohydrate derivatives with silver carbonate on Celite. IV. Oxidation of L-sorbose, an alternative synthesis of L-threose
Morgenlie, Svein, Acta Chemica Scandinavica (1947-1973), 1972, 26(5), 2146-7
合成路线:1 步
反应条件:
参考文献:
Tertiary Amine Promoted Asymmetric -Aldol Reaction of Aldehydes
Gut, Bartosz; Mlynarski, Jacek, European Journal of Organic Chemistry, 2015, 2015(23), 5075-5078
合成路线:1 步
反应条件:
参考文献:
Catalytic Gels for a Prebiotically Relevant Asymmetric Aldol Reaction in Water: From Organocatalyst Design to Hydrogel Discovery and Back Again
Hawkins, Kirsten; Patterson, Anna K.; Clarke, Paul A.; Smith, David K., Journal of the American Chemical Society, 2020, 142(9), 4379-4389
合成路线:1 步
反应条件:
参考文献:
Method for producing high-purity rare sugar from sugar alcohol through photocatalytic reaction using titania
, Japan, , ,

L-苏阿糖(95-44-3)参考资料

Beilstein:
202-419-6
PubChem CID:

L-苏阿糖(95-44-3) MSDS

基础信息

Name:L(+)-Threose Material Safety Data Sheet
Synonym:
CAS:95-44-3
Section 1 - Chemical Product ? MSDS Name:L(+)-Threose Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
95-44-3L(+)-Threose202-419-6
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
? Handling:
Use with adequate ventilation. 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.
Deep freeze (below -20C).

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 95-44-3: 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: Viscous liquid
Color: Not available.
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: 162 deg C
Solubility in water: Soluble.
Specific Gravity/Density:
Molecular Formula: C4H8O4
Molecular Weight: 120.11

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 95-44-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
L(+)-Threose - 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# 95-44-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 95-44-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 95-44-3 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A