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| CAS No.: | 80-68-2 |
|---|---|
| Name: | DL-Threonine |
| Molecular Structure: | |
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| Formula: | C4H9NO3 |
| Molecular Weight: | 119.12 |
| Synonyms: | Threonine, DL- (8CI);Threonine;NSC206292; |
| EINECS: | 201-300-6 |
| Density: | 1.307 g/cm3 |
| Melting Point: | 244 °C |
| Boiling Point: | 345.8 °C at 760 mmHg |
| Flash Point: | 162.9 °C |
| Solubility: | 200 g/L (25 °C) in water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25-37/39-26 |
| PSA: | 83.55000 |
| LogP: | -0.52060 |
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Consensus Reports
DL-Threonine is reported in EPA TSCA Inventory.
Specification
The IUPAC name of DL-Threonine is 2-amino-3-hydroxybutanoic acid. With the CAS registry number 80-68-2, it is also named as DL-2-Amino-3-hydroxybutanoic acid. The product's categories are Amino Acids; Amino Acid Derivatives; Threonine [Thr, T]; alpha-Amino Acids; Biochemistry; Amino Acids, and the other registry numbers are 31138-27-9; 5090-44-8. Besides, it is white crystalline powder, which should be stored at room temperaure. In addition, its molecular formula is C4H9NO3 and molecular weight is 119.12.
The other characteristics of this product can be summarized as: (1)EINECS: 201-300-6; (2)ACD/LogP: -1.23; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -3.73; (5)ACD/LogD (pH 7.4): -3.73; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 4; (11)#H bond donors: 4; (12)#Freely Rotating Bonds: 4; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 27.13 cm3; (15)Molar Volume: 91.1 cm3; (16)Surface Tension: 60 dyne/cm; (17)Density: 1.307 g/cm3; (18)Flash Point: 162.9 °C; (19)Melting Point: 244 °C; (20)Water solubility: 200 g/L (25 °C); (21)Enthalpy of Vaporization: 68.32 kJ/mol; (22)Boiling Point: 345.8 °C at 760 mmHg; (23)Vapour Pressure: 3.77E-06 mmHg at 25 °C.
Preparation and Uses of DL-Threonine: frist of all, please use glycine to react with acetaldehyde under alkaline conditions. And this reaction needs excessive copper carbonate. Then you would obtain this chemical after column chromatography, crystallization and acidification. Additionally, this product can be used for biochemical research. It is also used as nutrition enhancer. Moreover, it is used to produce L-threonine.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable gloves and eye/face protection to avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C(N)C(O)C
(2)InChI: InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
(3)InChIKey: YFVYJQAPQTCCC-UHFFFAOYAG