Ethyl octanoate - CAS 106-32-1
Catalog: |
BB001848 |
Product Name: |
Ethyl octanoate |
CAS: |
106-32-1 |
Synonyms: |
Ethyl n-octanoate; Caprylic acid ethyl ester; octanoic acid ethyl ester |
IUPAC Name: | ethyl octanoate |
Description: | Ethyl octanoate is a natural product found in Vitis rotundifolia, Chaenomeles speciosa, and other organisms. |
Molecular Weight: | 172.26 |
Molecular Formula: | C10H20O2 |
Canonical SMILES: | CCCCCCCC(=O)OCC |
InChI: | InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3 |
InChI Key: | YYZUSRORWSJGET-UHFFFAOYSA-N |
Boiling Point: | 206-208 °C |
Melting Point: | -47 °C |
Flash Point: | 75°C |
Purity: | 99 % |
Density: | 0.868 g/cm3 |
Appearance: | Clear colourless liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substance |
MDL: | MFCD00009552 |
LogP: | 2.91000 |
Refractive Index: | 1.415-1.42 |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
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PMID | Publication Date | Title | Journal |
23122509 | 20130201 | High-cell-density fermentation of Saccharomyces cerevisiae for the optimisation of mead production | Food microbiology |
22980827 | 20121215 | Volatile composition of partially fermented wines elaborated from sun dried Pedro Ximénez grapes | Food chemistry |
22692849 | 20120901 | Characterisation of the volatile profile of coconut water from five varieties using an optimised HS-SPME-GC analysis | Journal of the science of food and agriculture |
22741541 | 20120725 | Are the wild and laboratory insect populations different in semiochemical emission? The case of the medfly sex pheromone | Journal of agricultural and food chemistry |
22575782 | 20120715 | Structural transitions in cholesterol-based wormlike micelles induced by encapsulating alkyl ester oils with varying architecture | Journal of colloid and interface science |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.146329876 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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