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| CAS No.: | 5561-87-5 |
|---|---|
| Name: | 3-HYDROXYDECANOIC ACID |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C10H20O3 |
| Molecular Weight: | 188.267 |
| Synonyms: | (+-)-3-Hydroxydecanoic acid;DL-beta-Hydroxycapric acid;3-Hydroxydecanoic acid; |
| Density: | 1.011 g/cm3 |
| Boiling Point: | 318.2 °C at 760 mmHg |
| Flash Point: | 160.5 °C |
| PSA: | 57.53000 |
| LogP: | 2.18250 |
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Specification
The Decanoic acid, 3-hydroxy-, (+-)-, with the CAS registry number 5561-87-5, is also known as DL-beta-Hydroxycapric acid. It belongs to the product categories of All Aliphatics; Aliphatics. This chemical's molecular formula is C10H20O3 and molecular weight is 188.26. What's more, its systematic name is 3-hydroxydecanoic acid. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from light.
Physical properties of Decanoic acid, 3-hydroxy-, (+-)- are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): -0.97; (5)ACD/BCF (pH 5.5): 1.24; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.12; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 51.43 cm3; (15)Molar Volume: 186.1 cm3; (16)Polarizability: 20.39×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.011 g/cm3; (19)Flash Point: 160.5 °C; (20)Enthalpy of Vaporization: 64.88 kJ/mol; (21)Boiling Point: 318.2 °C at 760 mmHg; (22)Vapour Pressure: 3.03E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-hydroxy-decanoic acid bis-(4-methoxy-benzyl)-amide at the ambient temperature. This reaction will need reagent CAN and solvents H2O, methanol with the reaction time of 3 hours. The yield is about 68%.
Uses of Decanoic acid, 3-hydroxy-, (+-)-: it can be used to produce trans-dec-2-enoic acid N-(2,'3',4',6'-tetra-O-acetyl-b-D-glucopyranosyl)amide at the temperature of 50 °C. It will need reagents CF3COOAg, Et3N and solvent acetonitrile with the reaction time of 5 hours. The yield is about 57%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCC(CC(=O)O)O
(2)InChI: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
(3)InChIKey: FYSSBMZUBSBFJL-UHFFFAOYSA-N