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| CAS No.: | 473-86-9 |
|---|---|
| Name: | 3-hydroxy-2-methyl-Butanoic acid |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C5H10O3 |
| Molecular Weight: | 118.133 |
| Synonyms: | Butyricacid, 3-hydroxy-2-methyl- (6CI,8CI);2-Methyl-3-hydroxybutyric acid;3-Hydroxy-2-methylbutanoic acid;3-Hydroxy-2-methylbutyric acid;Nilic acid;a-Methyl-b-hydroxybutyric acid;3-hydroxy-2-methyl-butanoic acid; |
| Density: | 1.136 g/cm3 |
| Boiling Point: | 237.6 °C at 760 mmHg |
| Flash Point: | 111.8 °C |
| PSA: | 57.53000 |
| LogP: | 0.08790 |
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Specification
The 2-Methyl-3-hydroxybutyric acid is an organic compound with the formula C5H10O3. The IUPAC name of this chemical is 3-hydroxy-2-methylbutanoic acid. With the CAS registry number 473-86-9, it is also named as Acide 2-hydroxy-3-méthylbutanoïque.
Physical properties about 2-Methyl-3-hydroxybutyric acid are: (1)ACD/LogP: 0.18; (2)ACD/LogD (pH 5.5): -1.91; (3)ACD/LogD (pH 7.4): -3.38; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.455; (13)Molar Refractivity: 28.22 cm3; (14)Molar Volume: 103.9 cm3; (15)Polarizability: 11.19×10-24cm3; (16)Surface Tension: 41.8 dyne/cm; (17)Density: 1.136 g/cm3; (18)Flash Point: 111.8 °C; (19)Enthalpy of Vaporization: 55.14 kJ/mol; (20)Boiling Point: 237.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00793 mmHg at 25°C.
Uses of 2-Methyl-3-hydroxybutyric acid: it can be used to C20H24N2O2*C5H10O3. The yield is about 58%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)C(C)C
(2)InChI: InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
(3)InChIKey: NGEWQZIDQIYUNV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
(5)Std. InChIKey: NGEWQZIDQIYUNV-UHFFFAOYSA-N