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| CAS No.: | 5393-81-7 |
|---|---|
| Name: | 2-HYDROXYDECANOIC ACID |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C10H20O3 |
| Molecular Weight: | 188.267 |
| Synonyms: | Decanoic acid, 2-hydroxy- (8CI)(9CI);2-Hydroxydecanoic acid;NSC 4801;α-Hydroxydecanoic acid; |
| Density: | 1.011 g/cm3 |
| Melting Point: | 70.5 °C |
| Boiling Point: | 318.9 °C at 760 mmHg |
| Flash Point: | 160.9 °C |
| Appearance: | white solid |
| PSA: | 57.53000 |
| LogP: | 2.18250 |
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Specification
The 2-Hydroxycapric acid, with the CAS registry number 5393-81-7, is also known as α-Hydroxydecanoic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C10H20O3 and molecular weight is 188.26. What's more, its IUPAC name is 2-Hydroxydecanoic acid. In addition, it must be stored at 2-8 °C.
Physical properties about 2-Hydroxycapric acid are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): -0.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.35; (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: 20.39×10-24 cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.011 g/cm3; (19)Flash Point: 160.9 °C; (20)Enthalpy of Vaporization: 64.96 kJ/mol; (21)Boiling Point: 318.9 °C at 760 mmHg; (22)Vapour Pressure: 2.9E-05 mmHg at 25 °C.
Preparation of 2-Hydroxycapric acid: this chemical is prepared by 2-Amino-decanoic acid at ambient temperature. This reaction needs reagents H2SO4 and aq. NaNO2. The yield is about 40 %.
Uses of 2-Hydroxycapric acid: it is used to produce other chemicals. For example, it is used to produce Nonanal by heating. This reaction needs reagent Sodium periodate, catalyst Hexadecyltributylphosphonium bromide. Meanwhile, it needs solvents H2O and CHCl3. The reaction time is 4 hours. The yield is about 82 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(O)CCCCCCCC
(2) InChI: InChI=1/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)
(3) InChIKey: GHPVDCPCKSNJDR-UHFFFAOYAC