A summary of the most common chemical descriptors (InChI Key and SMILES codes) for 2,4-Dimethoxylbenzaldehyde are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the 2,4-Dimethoxylbenzaldehyde?

The molecule 2,4-Dimethoxylbenzaldehyde presents a molecular formula of C9H10O3 and its IUPAC name is 2,4-dimethoxylbenzaldehyde.

2,4-Dimethoxylbenzaldehyde is an organic compound with the molecular formula C9H10O2. It is a colorless liquid with a characteristic floral odor. It is used as a flavor and fragrance ingredient in a variety of food and cosmetic products..

2,4-Dimethoxylbenzaldehyde is produced by the catalytic oxidation of toluene. It is also a byproduct of the synthesis of 2,4-dimethoxybenzene..

The compound has a strong floral odor and is used as a fragrance ingredient in a variety of cosmetics and personal care products. It is also used as a flavor ingredient in food and beverages..

2,4-Dimethoxylbenzaldehyde is a volatile compound and can be released into the atmosphere from products that contain it. Inhalation of the compound can cause irritation to the nose and throat..

The compound lies as a skin sensitizer and can cause allergic reactions in some people. It is also a moderate eye irritant..

3D structure

Cartesian coordinates

Geometry of 2,4-Dimethoxylbenzaldehyde in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing


2,4-Dimethoxylbenzaldehyde LWRSYTXEQUUTKW-UHFFFAOYSA-N chemical compound 2D structure molecule svg


Molecule descriptors

IUPAC name2,4-dimethoxylbenzaldehyde
InChI codeInChI=1S/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H3

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 name2,4-dimethoxylbenzaldehyde
Molecular formulaC9H10O3
Molecular weight166.174
Melting point (ºC)72
Boiling point (ºC)-
Density (g/cm3)-
Molar refractivity44.81
Topological polar surface area20.2

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.