Physicochemical Properties
Molecular Formula | C₁₁H₂₂O₄ |
Molecular Weight | 218.29 |
Exact Mass | 218.152 |
CAS # | 26402-26-6 |
PubChem CID | 3033877 |
Appearance | White to off-white solid powder |
Density | 1.044g/cm3 |
Boiling Point | 340ºC at 760 mmHg |
Melting Point | 39.0 to 43.0 °C |
Flash Point | 123.4ºC |
Vapour Pressure | 5.91E-06mmHg at 25°C |
Index of Refraction | 1.465 |
LogP | 1.243 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 10 |
Heavy Atom Count | 15 |
Complexity | 159 |
Defined Atom Stereocenter Count | 0 |
SMILES | O(C([H])([H])C([H])(C([H])([H])O[H])O[H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O |
InChi Key | GHBFNMLVSPCDGN-UHFFFAOYSA-N |
InChi Code | InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3 |
Chemical Name | 2,3-dihydroxypropyl octanoate |
HS Tariff Code | 2934.99.9001 |
Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
ln Vitro | After 6 hours of incubation, all 5 pathogens (Strep. agalactiae, Strep. dysgalactiae, Strep. uberis, Staph. aureus, and E. coli) are reduced by >5.0 log cfu/mL by monocaprylin (Glyceryl monocaprylate; 25, 50 mM; 24 h)[1]. |
References |
[1]. Antibacterial effect of caprylic acid and monocaprylin on major bacterial mastitis pathogens. J Dairy Sci. 2005 Oct;88(10):3488-95. |
Additional Infomation |
1-monooctanoylglycerol is a 1-monoglyceride that has octanoyl as the acyl group. It is a 1-monoglyceride and an octanoate ester. See also: Monoctanoin (annotation moved to). |
Solubility Data
Solubility (In Vitro) | DMSO : 100 mg/mL (458.11 mM) |
Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.45 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 4.5811 mL | 22.9053 mL | 45.8106 mL | |
5 mM | 0.9162 mL | 4.5811 mL | 9.1621 mL | |
10 mM | 0.4581 mL | 2.2905 mL | 4.5811 mL |