Ethyl Vinyl Ketone

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Ethyl Vinyl Ketone are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Ethyl Vinyl Ketone?

The molecule Ethyl Vinyl Ketone presents a molecular formula of C5H8O and its IUPAC name is ethyl vinyl ketone.

Ethyl vinyl ketone (EVK) is a molecule with the chemical formula C4H8O. It is a colorless liquid with a characteristic ketone odor. EVK is insoluble in water but miscible with most organic solvents..

EVK is used as a monomer in the production of certain kinds of plastics and resins. It is also used as a solvent and as a paint stripper..

EVK is a volatile organic compound (VOC). When released into the atmosphere, it contributes to air pollution and can be harmful to human health..

EVK lies as a hazardous substance in the United States and is subject to strict regulation..

3D structure

Cartesian coordinates

Geometry of Ethyl Vinyl Ketone in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Ethyl Vinyl Ketone JLIDVCMBCGBIEY-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Ethyl Vinyl Ketone

 

Molecule descriptors

 
IUPAC nameethyl vinyl ketone
InChI codeInChI=1S/CCl3F/c2-1(3,4)5
InChI KeyJLIDVCMBCGBIEY-UHFFFAOYSA-N
SMILESC(=C)C(=O)CC

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

Physico-Chemical properties

IUPAC nameethyl vinyl ketone
Molecular formulaC5H8O
Molecular weight84.1164
Melting point (ºC)-
Boiling point (ºC)-
Density (g/cm3)0.840
Molar refractivity25.88
LogP1.2
Topological polar surface area-

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.