Octadecanoic acid,12-hydroxy-, 2-ethylhexyl ester supplier

Name
2-ethylhexyl 12-hydroxyoctadecanoate
EINECS 249-793-7
CAS No. 29710-25-6
Article Data2
CAS DataBase
Density 0.898 g/cm^3/sup>
Solubility
Melting Point
Formula C₂₆H₅₂O₃
Boiling Point 490.6 °C at 760 mmHg
Molecular Weight 412.697
Flash Point 175.6 °C
Transport Information
Appearance Clear, Light Amber Liquid.
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 46.53000
LogP 7.97830

Synthetic route

: 104-76-7
2-Ethylhexyl alcohol

: 106-14-9
12-Hydroxystearic acid

: 29710-25-6
2-ethylhexyl 12-hydroxystearate

Conditions

Conditions	Yield
With hydrogenchloride at 85 - 90℃; Entfernung des Reaktionswassers durch Vakuumdestillation;

ricinolic acid-<2-ethyl-hexyl ester>: ricinolic acid-<2-ethyl-hexyl ester>

: 29710-25-6
2-ethylhexyl 12-hydroxystearate

Conditions

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

Product Name

2-ethylhexyl 12-hydroxyoctadecanoate

Synthetic route

Octadecanoic acid,12-hydroxy-, 2-ethylhexyl ester Specification

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