Product Name

  • Name

    2-ethylhexyl epoxyoctadecanoate

  • EINECS 249-827-0
  • CAS No. 29759-19-1
  • Density 0.905 g/cm3
  • Solubility
  • Melting Point
  • Formula C26H50O3
  • Boiling Point 478.5 °C at 760 mmHg
  • Molecular Weight 410.6734
  • Flash Point 179.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 29759-19-1 (2-ethylhexyl epoxyoctadecanoate)
  • Hazard Symbols
  • Synonyms 2-Ethylhexyl epoxyoctadecanoate;
  • PSA
  • LogP

Octadecanoic acid, epoxy-, 2-ethylhexyl ester (6CI,8CI,9CI) Specification

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

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