111-89-7 Usage
Description
1,5-Dimethoxypentane (1,5-DMP) is an aliphatic diether with a trans conformation, as determined through its conformational analysis using Raman and infrared spectra recorded in the crystalline solid state. The Gibbs energy of hydration (at 298.15K and 0.1MPa) and Antoine constants of 1,5-DMP have been established, providing insights into its physical and chemical properties.
Uses
1. Used in Chemical Synthesis:
1,5-Dimethoxypentane is used as a synthetic intermediate for the production of various organic compounds due to its versatile structure and reactivity.
2. Used in Solvent Applications:
1,5-Dimethoxypentane is used as a solvent in the chemical and pharmaceutical industries, taking advantage of its ability to dissolve a wide range of substances.
3. Used in Flavor and Fragrance Industry:
1,5-Dimethoxypentane can be used as a component in the creation of flavors and fragrances, leveraging its unique chemical properties to contribute to the desired sensory profiles.
4. Used in Research and Development:
1,5-Dimethoxypentane serves as a valuable compound in research and development, particularly in the study of aliphatic diethers and their potential applications in various fields.
5. Used in Specialty Chemicals:
1,5-Dimethoxypentane is utilized in the production of specialty chemicals, where its specific properties can be tailored to meet the requirements of niche applications.
6. Used in Environmental Applications:
1,5-Dimethoxypentane may be employed in environmental applications, such as in the development of green solvents or for the extraction of specific contaminants from various media.
7. Used in Pharmaceutical Formulation:
1,5-Dimethoxypentane can be used in the formulation of pharmaceutical products, potentially enhancing the solubility, stability, or bioavailability of active ingredients.
8. Used in Material Science:
1,5-Dimethoxypentane may find applications in material science, where its unique properties could be leveraged to develop new materials with specific characteristics or functions.
Check Digit Verification of cas no
The CAS Registry Mumber 111-89-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,1 and 1 respectively; the second part has 2 digits, 8 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 111-89:
(5*1)+(4*1)+(3*1)+(2*8)+(1*9)=37
37 % 10 = 7
So 111-89-7 is a valid CAS Registry Number.
InChI:InChI=1/C7H16O2/c1-8-6-4-3-5-7-9-2/h3-7H2,1-2H3
111-89-7Relevant articles and documents
Thermodynamic stabilities of Cu+ and Li+ complexes of dimethoxyalkanes (MeO(CH2)nOMe, n = 2-9) in the gas phase: Conformational requirements for binding interactions between metal ions and ligands
Mishima, Masaaki,Maeda, Hideyuki,Than, Soe,Irie, Maki,Kikukawa, Kiyoshi
, p. 616 - 623 (2006)
The relative free energy changes for the reaction ML+ = M + + L (M = Cu+ and Li+) were determined in the gas phase for a series of dimethoxyalkanes (MeO(CH2)nOMe, n = 2-9) by measuring the equilibrium constants of ligand-transfer reactions using a FT-ICR mass spectrometry. Stable 1:1 Cu+-complexes (CuL +) were observed when the chain is longer than n = 4 while the 1:2 complexes (CuL2+) were formed for smaller compounds as stable ions. The dissociation free energy for CuL+ significantly increases with increasing chain length, by 10 kcal mol-1 from n = 4 to 9. This increase is attributed to the release of constrain involved in the cyclic conformation of the Cu+-complexes. This is consistent with the geometrical and energetic features of the complexes obtained by the DFT calculations at B3LYP/6-311G level of theory. On the contrary, the corresponding dissociation free energy for LiL+ increases only 3 kcal mol -1 from n = 2 to 9, although the structures of the 1:1 Li +-complexes are also considered to be cyclic. From these results it is concluded that the Cu[MeO(CH2)nOMe]+ requires linear alignment for O-Cu-O, indicating the importance of sd σ hybridization of Cu+ in the first two ligands binding energy, while the stability of the Li+ complex is less sensitive to binding geometries except for the system forming a small ring such as n = 1 and 2. Copyright
Upgrading biomass-derived furans via acid-catalysis/hydrogenation: The remarkable difference between water and methanol as the solvent
Hu, Xun,Westerhof, Roel J. M.,Wu, Liping,Dong, Dehua,Li, Chun-Zhu
, p. 219 - 224 (2018/04/16)
In methanol 5-hydroxymethylfurfural (HMF) and furfuryl alcohol (FA) can be selectively converted into methyl levulinate via acidcatalysis, whereas in water polymerization dominates. The hydrogenation of HMF, furan and furfural with the exception of FA is
