Structure Database (LMSD)
Common Name
SFE 1:0/12:0
Systematic Name
Methyl dodecanoate
Synonyms
- WE(1:0/12:0)
3D model of SFE 1:0/12:0
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
Lauric acid methyl ester is an esterified version of lauric acid , which is a common 12-carbon saturated fatty acid. Lauric acid methyl ester was a major component (35.5%) of biodiesel made from crude fat extracted from black soldier flies, with oleinic acid methyl ester (23.6%) and palmitic acid methyl ester (14.8%) as lesser components.1 It has also been used in the transesterification of starches and as an internal standard for GC- and LC-MS.2,3
This information has been provided by Cayman Chemical
References
1. Aburto, J., Alric, I., and Borredon, E. Organic solvent-free transesterification of various starches with lauric acid methyl ester and triacyl glycerides. Starch 57, 145-152 (2005).
3. Wang, Y., Ou, S., Liu, P., et al. Comparison of two different processes to synthesize biodiesel by waste cooking oil. J. Mol. Catal. A Chem. 252(1-2), 107-112 (2006).
References
String Representations
InChiKey (Click to copy)
UQDUPQYQJKYHQI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCC)OC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
248.40
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.08
Molar Refractivity
63.86
Admin
Created at
-
Updated at
28th Feb 2025