1,3-dimethyl-2-propoxybenzene

1, 3-Dimethyl-2-Propoxybenzene is an organic compound. It belongs to the category of aromatic ether compounds. The structural features of this molecule include a benzene ring connected by two methyl substituents at positions 1 and 3. In addition, there is a propoxy substituent attached at position 2. This compound usually appears in a colorless to yellowish liquid state and gives off a characteristic aromatic odor. The molecular formula is C12H16O, indicating that the compound is composed of 12 carbon atoms, 16 hydrogen atoms, and 1 oxygen atom. Its molecular weight is 176.25 g/mol and its exact mass is 164.120115130 g/mol. The DSSTox ID is DTXSID40342153, which represents the compound's unique identifier in the environmental health database. Another formulation of the molecular weight is 164.24, while the XLogP3 value is 3.9, which reflects the partition coefficient of the compound in water and organic solvents, indicating that it has a certain lipophilicity. A hydrogen bond acceptor number of 1 means that the molecule can accept a hydrogen bond. A number of rotating bonds of 3 indicates that there are three freely rotating bonds in the molecule, which may affect its spatial configuration. The topological polar surface area is 9.2, reflecting the size of the molecular polar surface. The number of heavy atoms is 12, indicating that the molecule contains 12 heavy atoms (carbon, hydrogen, and oxygen). The complexity is 112, which is a measure of the complexity of a molecule. The number of covalently bonded units is 1, indicating that the compound usually participates as a whole in a chemical reaction. The compound has been standardized, meaning that its structure and naming have been recognized and standardized by the international community.

1, 3-Dimethyl-2-Propoxybenzene is a versatile compound that plays an important role in many fields. First, as a solvent, it is widely used in organic synthesis processes because of its excellent solubility. This compound is particularly suitable for dissolving non-polar and moderately polar compounds, thus playing a key auxiliary role in chemical reactions. Secondly, in the field of fragrances and fragrances, 1, 3-Dimethyl-2-Propoxybenzene, by virtue of its unique aromatic properties, has become one of the indispensable ingredients in the fragrance industry. It is often used in perfumes, cosmetics and household cleaning products to give them a more pleasant and long-lasting aroma. In addition, in the pharmaceutical and chemical industries, 1, 3-Dimethyl-2-Propoxybenzene can also be used as an intermediate in the synthesis of other complex compounds, thus facilitating the synthesis process of these compounds. Finally, in the field of materials science, due to its chemical stability, the compound is also used in the development of new materials, especially in the research and development of polymers and coatings. Through these diverse applications, 1, 3-Dimethyl-2-Propoxybenzene has demonstrated its remarkable importance and extensive versatility in the chemical and industrial fields.

Molecular Weight:164.24
XLogP3:3.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:164.120115130
Monoisotopic Mass:164.120115130
Topological Polar Surface Area:9.2
Heavy Atom Count:12
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes