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Cas Database |
| Name |
Octadecanoic acid,12-hydroxy-, 2-ethylhexyl ester |
EINECS | 249-793-7 |
| CAS No. | 29710-25-6 | Density | 0.898 g/cm3/sup> |
| PSA | 46.53000 | LogP | 7.97830 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C26H52O3 | Boiling Point | 490.6 °C at 760 mmHg |
| Molecular Weight | 412.697 | Flash Point | 175.6 °C |
| Transport Information | N/A | Appearance | Clear, Light Amber Liquid. |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Ethylhexyl12-hydroxystearate;2-Ethylhexyl hydroxystearate;2-Ethylhexyl oxystearate;Crodamol OHS;Risocast IOHS;Schercemol OHS;Wickenol 171;2-Ethylhexyl 12-hydroxy octadecanoate;2-Ethylhexyl 12-hydroxyoctadecanoate;2-Ethylhexyl 12-hydroxystearate;octadecanoic acid, 12-hydroxy-, 2-ethylhexyl ester; |
Article Data | 2 |
Octadecanoic acid,12-hydroxy-, 2-ethylhexyl ester Synthetic route
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 85 - 90℃; Entfernung des Reaktionswassers durch Vakuumdestillation; |
- 29710-25-6
2-ethylhexyl 12-hydroxystearate
| Conditions | Yield |
|---|---|
| With nickel at 140℃; under 7355.08 Torr; Hydrogenation; |
Octadecanoic acid,12-hydroxy-, 2-ethylhexyl ester Specification
The Octadecanoic acid,12-hydroxy-, 2-ethylhexyl ester, with the CAS registry number 29710-25-6 and EINECS registry number 249-793-7, has the systematic name of 2-ethylhexyl 12-hydroxyoctadecanoate. And the molecular formula of the chemical is C26H52O3.
The characteristics of Octadecanoic acid,12-hydroxy-, 2-ethylhexyl ester are as followings: (1)ACD/LogP: 10.02; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 24; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.459; (8)Molar Refractivity: 125.73 cm3; (9)Molar Volume: 459.4 cm3; (10)Polarizability: 49.84×10-24cm3; (11)Surface Tension: 33.1 dyne/cm; (12)Density: 0.898 g/cm3; (13)Flash Point: 175.6 °C; (14)Enthalpy of Vaporization: 87.23 kJ/mol; (15)Boiling Point: 490.6 °C at 760 mmHg; (16)Vapour Pressure: 1.1E-11 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC(CC)CCCC)CCCCCCCCCCC(O)CCCCCC
(2)InChI: InChI=1/C26H52O3/c1-4-7-9-16-20-25(27)21-17-14-12-10-11-13-15-18-22-26(28)29-23-24(6-3)19-8-5-2/h24-25,27H,4-23H2,1-3H3
(3)InChIKey: GLCFQKXOQDQJFZ-UHFFFAOYAA
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