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| CAS No.: | 598-35-6 |
|---|---|
| Name: | Propanal, 2-hydroxy- |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C3H6O2 |
| Molecular Weight: | 74.0794 |
| Synonyms: | Lactaldehyde(6CI,7CI,8CI);2-Hydroxypropanal;2-Hydroxypropionaldehyde;DL-Lactaldehyde;Racemic-glycerol formal;a-Hydroxypropionaldehyde;Lactaldehyde; |
| Density: | 1.011 g/cm3 |
| Melting Point: | 98 °C |
| Boiling Point: | 121.9 °C at 760 mmHg |
| Flash Point: | 36.8 °C |
| PSA: | 37.30000 |
| LogP: | -0.43390 |
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Specification
The IUPAC name of Lactaldehyde is 2-hydroxypropanal. With the CAS registry number 598-35-6, it is also named as Propanal, 2-hydroxy-. In addition, its molecular formula is C3H6O2 and molecular weight is 74.07854.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.6; (4)ACD/LogD (pH 7.4): -0.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.17; (8)ACD/KOC (pH 7.4): 11.17; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.396; (14)Molar Refractivity: 17.62 cm3; (15)Molar Volume: 73.2 cm3; (16)Polarizability: 6.98x10-24cm3; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 1.011 g/cm3; (19)Flash Point: 36.8 °C; (20)Enthalpy of Vaporization: 41.95 kJ/mol; (21)Boiling Point: 121.9 °C at 760 mmHg; (22)Vapour Pressure: 6.82 mmHg at 25 °C.
Preparation of Lactaldehyde: this chemical can be prepared by trifluoro-acetic acid 1-phenylsulfanyl-2-trifluoroacetoxy-propyl ester.
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This reaction needs Et3N, CH2Cl2 and methanol at temperature of 0 °C for 5 min. The yield is 85 %.
Uses of Lactaldehyde: it can react with phosphoric acid mono-(3-hydroxy-2-oxo-propyl) ester to get L-fuculose 1-phosphate.
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This reaction needs L-fuculose 1-phosphate aldolase. The yield is 85 %.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C=O)O
(2)InChI: InChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3
(3)InChIKey: BSABBBMNWQWLLU-UHFFFAOYSA-N