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| CAS No.: | 71271-24-4 |
|---|---|
| Name: | DL-2-HYDROXYDECANOIC ACID METHYL ESTER |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C11H22O3 |
| Molecular Weight: | 202.294 |
| Synonyms: | CP112994;Methyl 2-hydroxycaproate;Methyl 2-hydroxydecanoate;Methyl (±)-2-hydroxydecanoate; |
| Density: | 0.956 g/cm3 |
| Boiling Point: | 249 °C at 760 mmHg |
| Flash Point: | 103.2 °C |
| PSA: | 46.53000 |
| LogP: | 2.27090 |
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- Total:8 Page 1 of 1 1
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Specification
The Decanoic acid,2-hydroxy-, methyl ester, with the CAS registry number 71271-24-4, is also known as Methyl 2-hydroxycaproate. This chemical's molecular formula is C11H22O3 and molecular weight is 202.29. What's more, its systematic name is methyl 2-hydroxydecanoate.
Physical properties of Decanoic acid,2-hydroxy-, methyl ester are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112.31; (6)ACD/BCF (pH 7.4): 112.31; (7)ACD/KOC (pH 5.5): 1021.67; (8)ACD/KOC (pH 7.4): 1021.67; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 56.27 cm3; (15)Molar Volume: 211.4 cm3; (16)Polarizability: 22.31×10-24cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.956 g/cm3; (19)Flash Point: 103.2 °C; (20)Enthalpy of Vaporization: 56.49 kJ/mol; (21)Boiling Point: 249 °C at 760 mmHg; (22)Vapour Pressure: 0.00377 mmHg at 25°C.
Preparation of Decanoic acid,2-hydroxy-, methyl ester: this chemical can be prepared by 1,1,1-tris-methylsulfanyl-decan-2-ol by heating. This reaction will need reagents HgCl2, HgO and solvent methanol with the reaction time of 1 hour. The yield is about 75%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(O)CCCCCCCC
(2)InChI: InChI=1S/C11H22O3/c1-3-4-5-6-7-8-9-10(12)11(13)14-2/h10,12H,3-9H2,1-2H3
(3)InChIKey: HHHKXSXAGVRUSM-UHFFFAOYSA-N