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CAS No.: | 29759-19-1 |
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Name: | 2-ethylhexyl epoxyoctadecanoate |
Molecular Structure: | |
Formula: | C26H50O3 |
Molecular Weight: | 410.6734 |
Synonyms: | 2-Ethylhexyl epoxyoctadecanoate; |
EINECS: | 249-827-0 |
Density: | 0.905 g/cm3 |
Boiling Point: | 478.5 °C at 760 mmHg |
Flash Point: | 179.7 °C |
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The Octadecanoic acid, epoxy-, 2-ethylhexyl ester (6CI,8CI,9CI), with the CAS registry number 29759-19-1, is also known as 2-Ethylhexyl epoxyoctadecanoate. Its EINECS registry number is 249-827-0. This chemical's molecular formula is C26H50O3 and molecular weight is 410.6734. Its IUPAC name is called 2-ethylhexyl 8-(3-octyloxiran-2-yl)octanoate.
Physical properties of Octadecanoic acid, epoxy-, 2-ethylhexyl ester (6CI,8CI,9CI): (1)ACD/LogP: 10.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.14; (4)ACD/LogD (pH 7.4): 10.14; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 7784164; (8)ACD/KOC (pH 7.4): 7784164; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 22; (11)Index of Refraction: 1.458; (12)Molar Refractivity: 123.87 cm3; (13)Molar Volume: 453.4 cm3; (14)Surface Tension: 33.4 dyne/cm; (15)Density: 0.905 g/cm3; (16)Flash Point: 179.7 °C; (17)Enthalpy of Vaporization: 74.26 kJ/mol; (18)Boiling Point: 478.5 °C at 760 mmHg; (19)Vapour Pressure: 2.56E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC(CC)CCCC
(2)InChI: InChI=1S/C26H50O3/c1-4-7-9-10-12-15-19-24-25(29-24)20-16-13-11-14-17-21-26(27)28-22-23(6-3)18-8-5-2/h23-25H,4-22H2,1-3H3
(3)InChIKey: PUYRISKXBBQECH-UHFFFAOYSA-N