Adipic Acid

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

What is the Adipic Acid?

The molecule Adipic Acid presents a molecular formula of C6H10O4 and its IUPAC name is adipic acid.

Adipic acid is a white, crystalline organic compound with the chemical formula (CH2)4(COOH)2. It is a dicarboxylic acid that is used as a monomer in the production of nylon. It is also a precursor to many other important chemicals such as amines, dyes, and pharmaceuticals. Adipic acid is produced by the oxidation of primary alcohols such as hexanol..

The global adipic acid market was valued at $3.4 billion in 2018 and is projected to reach $4.2 billion by 2026, growing at a CAGR of 3.2% from 2019 to 2026..

Adipic acid is an important industrial chemical that is used as a monomer in the production of nylon. It is also a precursor to many other important chemicals such as amines, dyes, and pharmaceuticals. Adipic acid is produced by the oxidation of primary alcohols such as hexanol..

The major drivers for the growth of the adipic acid market are the growing demand for nylon 6,6 and the increasing use of adipic acid as a raw material in the production of polyurethanes. The growing automotive and construction industries are also driving the demand for adipic acid. The rising cost of raw materials is the major challenge for the growth of the adipic acid market..

The Asia-Pacific region is the largest market for adipic acid, accounting for more than 50% of the global demand. The region is also the fastest-growing market for adipic acid, due to the growing demand from the textile, automotive, and construction industries. China is the largest market for adipic acid in the Asia-Pacific region, followed by India and Japan..

The North American adipic acid market is expected to grow at a moderate rate during the forecast period. The United States is the largest market for adipic acid in North America, followed by Canada. The growing demand for nylon 6,6 and polyurethanes is driving the demand for adipic acid in the region..

The European adipic acid market is expected to grow at a moderate rate during the forecast period. Germany is the largest market for adipic acid in Europe, followed by the United Kingdom and France. The growing demand for nylon 6,6 and polyurethanes is driving the demand for adipic acid in the region..

The Middle East & Africa adipic acid market is expected to grow at a moderate rate during the forecast period. The GCC countries are the major contributors to the growth of the adipic acid market in the region. The growing demand for nylon 6,6 and polyurethanes is driving the demand for adipic acid in the region..

The South American adipic acid market is expected to grow at a moderate rate during the forecast period. Brazil is the largest market for adipic acid in South America, followed by Argentina. The growing demand for nylon 6,6 and polyurethanes is driving the demand for adipic acid in the region..

3D structure

Cartesian coordinates

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

2D drawing

 

Adipic Acid WNLRTRBMVRJNCN-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Adipic Acid

 

Molecule descriptors

 
IUPAC nameadipic acid
InChI codeInChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChI KeyWNLRTRBMVRJNCN-UHFFFAOYSA-N
SMILESC(=O)(O)CCCCC(=O)O

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 nameadipic acid
Molecular formulaC6H10O4
Molecular weight146.141
Melting point (ºC)153
Boiling point (ºC)-
Density (g/cm3)-
Molar refractivity34.50
LogP0.7
Topological polar surface area26.0

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.