Ethyl dodecanoate - CAS 106-33-2
Catalog: |
BB001850 |
Product Name: |
Ethyl dodecanoate |
CAS: |
106-33-2 |
Synonyms: |
ethyl dodecanoate |
IUPAC Name: | ethyl dodecanoate |
Description: | Ethyl dodecanoate (CAS# 106-33-2) is a natural food flavor ingredient, and a component of essential fatty acids. |
Molecular Weight: | 228.37 |
Molecular Formula: | C14H28O2 |
Canonical SMILES: | CCCCCCCCCCCC(=O)OCC |
InChI: | InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3 |
InChI Key: | MMXKVMNBHPAILY-UHFFFAOYSA-N |
Boiling Point: | 269 °C |
Melting Point: | -10 °C |
Flash Point: | 100°C |
Purity: | 95 % |
Density: | 0.863 g/cm3 |
Solubility: | water, 0.4128 mg/L @ 25 °C (est) |
Appearance: | Clear liquid |
Storage: | -20 °C |
MDL: | MFCD00015065 |
LogP: | 4.47040 |
Refractive Index: | 1.43-1.434 |
Stability: | Stable under normal temperatures and pressures. |
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PMID | Publication Date | Title | Journal |
22277184 | 20120224 | Characterization of the volatile profile of Brazilian Merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection | Journal of chromatography. A |
22364438 | 20120224 | Functional expression and characterization of five wax ester synthases in Saccharomyces cerevisiae and their utility for biodiesel production | Biotechnology for biofuels |
21603272 | 20110101 | Synthesis of isopropyl ferulate using silica-immobilized lipase in an organic medium | Enzyme research |
21629774 | 20110101 | De novo biosynthesis of biodiesel by Escherichia coli in optimized fed-batch cultivation | PloS one |
21121272 | 20101001 | Composition and antifungal activities of the leaf essential oil of Litsea coreana from Taiwan | Natural product communications |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.208930132 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.208930132 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.6 |
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