(9Z)-9-Octadecenoic Acid 1,1'-[1-(Hydroxymethyl)-1,2-Ethanediyl] Ester
[CAS 2442-61-7]

Identification

• Name: (9Z)-9-Octadecenoic Acid 1,1'-[1-(Hydroxymethyl)-1,2-Ethanediyl] Ester
• Synonyms: [1-(Hydroxymethyl)-2-[(Z)-Octadec-9-Enoyl]Oxy-Ethyl] (Z)-Octadec-9-Enoate; (Z)-Octadec-9-Enoic Acid [1-(Hydroxymethyl)-2-[(Z)-1-Oxooctadec-9-Enoxy]Ethyl] Ester; (Z)-Octadec-9-Enoic Acid [1-Methylol-2-[(Z)-Octadec-9-Enoyl]Oxy-Ethyl] Ester
• Molecular Formula: C₃₉H₇₂O₅
• Molecular Weight: 620.99
• CAS Registry Number: 2442-61-7
• SMILES: C(OC(=O)CCCCCCC\C=C/CCCCCCCC)C(OC(=O)CCCCCCC\C=C/CCCCCCCC)CO
• InChI: 1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-
• InChIKey: AFSHUZFNMVJNKX-CLFAGFIQSA-N

Properties

• Density: 0.935g/cm³ (Cal.)
• Boiling point: 670.771°C at 760 mmHg (Cal.)
• Flash point: 186.343°C (Cal.)

References

• (1): A. I. I. Tyler, G. C. Shearman, N. J. Brooks, H. Delacroix, R. V. Law, R. H. Templer, O. Ces and J. M. Seddon. Hydrostatic pressure effects on a hydrated lipid inverse micellar Fd3m cubic phase, Phys. Chem. Chem. Phys., 2011, 13, 3033.