Hey there! As a supplier of CAS 115 - 86 - 6, I often get asked about the IR spectrum of this compound. So, I thought I'd take a moment to break it down for you in a way that's easy to understand.
First off, CAS 115 - 86 - 6 refers to Tributyl phosphate. It's a widely used chemical in various industries, like as a plasticizer, a solvent, and even in some flame - retardant applications. If you're interested in other phosphate - based flame retardants, you can check out Triphenyl Phosphate, TRIXYLYL PHOSPHATE, and Tert - ButylPhenyl Diphenyl Phosphate.
Now, let's dive into the IR spectrum. Infrared (IR) spectroscopy is a super useful tool in chemistry. It helps us figure out the structure of a compound by looking at how it absorbs infrared light. Different functional groups in a molecule absorb infrared radiation at specific frequencies, and these absorptions show up as peaks on an IR spectrum.
For Tributyl phosphate, the IR spectrum has several characteristic peaks that can tell us a lot about its structure.
C - H Stretching Vibrations
One of the first things you'll notice in the IR spectrum of Tributyl phosphate are the peaks related to C - H stretching vibrations. The butyl groups in Tributyl phosphate have both aliphatic C - H bonds. Aliphatic C - H stretching vibrations usually show up in the region of 2850 - 3000 cm⁻¹. There are two main types of C - H stretching here: the symmetric and asymmetric stretching.
The asymmetric C - H stretching of the methylene (CH₂) groups in the butyl chains typically gives a peak around 2920 cm⁻¹, while the symmetric C - H stretching of the methylene groups is around 2850 cm⁻¹. The methyl (CH₃) groups also contribute to the C - H stretching region. The asymmetric C - H stretching of the methyl groups is around 2960 cm⁻¹, and the symmetric C - H stretching is around 2870 cm⁻¹. These peaks are quite intense and are a clear sign of the presence of the butyl groups in the molecule.
P = O Stretching
Another very important peak in the IR spectrum of Tributyl phosphate is the one related to the P = O (phosphoryl) stretching vibration. The P = O double bond is a characteristic feature of phosphate esters. This stretching vibration usually shows up as a strong, sharp peak in the region of 1260 - 1280 cm⁻¹. The high intensity of this peak is due to the large dipole moment change associated with the stretching of the P = O bond. It's a key identifier for phosphate - containing compounds like Tributyl phosphate.
P - O - C Stretching
The P - O - C (phosphate - oxygen - carbon) bonds in Tributyl phosphate also have characteristic absorptions in the IR spectrum. The stretching vibrations of the P - O - C bonds typically occur in the region of 1000 - 1100 cm⁻¹. There are both symmetric and asymmetric stretching modes for these bonds. The asymmetric P - O - C stretching usually gives a peak around 1050 - 1070 cm⁻¹, while the symmetric P - O - C stretching is around 1020 - 1040 cm⁻¹. These peaks are also quite important as they confirm the presence of the ester linkages between the phosphate group and the butyl groups.
O - C - C Bending
In addition to the stretching vibrations, there are also bending vibrations in the IR spectrum. The O - C - C bending vibrations in the butyl chains show up in the region of 1350 - 1470 cm⁻¹. The bending of the methylene and methyl groups in the butyl chains contribute to these peaks. For example, the scissoring vibration of the methylene groups gives a peak around 1460 cm⁻¹, and the bending vibrations of the methyl groups can be seen around 1375 cm⁻¹.
Fingerprint Region
The region below 1500 cm⁻¹ is often called the fingerprint region. In the case of Tributyl phosphate, this region contains a complex pattern of peaks that are unique to the molecule. These peaks are due to a combination of various bending and stretching vibrations of the whole molecule. While it's difficult to assign each peak in this region to a specific vibration, the overall pattern in the fingerprint region is like a fingerprint for the compound. It can be used to confirm the identity of Tributyl phosphate by comparing it with a reference spectrum.
Using the IR Spectrum for Quality Control
As a supplier, the IR spectrum of Tributyl phosphate is really important for quality control. By analyzing the IR spectrum of our product, we can make sure that it has the correct structure and that there are no impurities. If there are any unexpected peaks in the spectrum, it could indicate the presence of impurities or side - products from the manufacturing process.
For example, if there were a peak in the region of 1700 cm⁻¹, which is typical for a carbonyl (C = O) group, it would suggest that there might be an impurity with a carbonyl - containing compound in our Tributyl phosphate sample. We can then take steps to purify the product or investigate the source of the impurity.
Applications of Tributyl phosphate Based on IR Analysis
Understanding the IR spectrum of Tributyl phosphate also helps us understand its applications. Since we know the functional groups present in the molecule from the IR analysis, we can predict how it will interact with other substances.
For example, the P = O group in Tributyl phosphate can act as a Lewis base, which means it can donate a pair of electrons. This property makes Tributyl phosphate useful as a solvent and an extractant in some chemical processes. The butyl groups make it soluble in organic solvents, which is great for applications where it needs to mix with other organic compounds.
In the flame - retardant industry, the structure of Tributyl phosphate revealed by the IR spectrum gives us clues about how it works. The phosphate group can release phosphoric acid when exposed to heat, and this acid can form a protective char layer on the surface of the material, preventing further combustion.
Why Choose Us as Your Supplier
If you're in the market for Tributyl phosphate, choosing the right supplier is crucial. As a supplier, we have a deep understanding of the compound, including its IR spectrum. This knowledge allows us to provide you with a high - quality product.
We use state - of - the - art analytical techniques, including IR spectroscopy, to ensure that our Tributyl phosphate meets the highest standards. Whether you need it for research, industrial production, or any other application, we can provide you with a reliable supply.
If you're interested in purchasing Tributyl phosphate or have any questions about it, don't hesitate to reach out. We're here to help you with all your Tributyl phosphate needs. Let's start a conversation and see how we can work together to meet your requirements.
References
- Silverstein, R. M., Webster, F. X., & Kiemle, D. J. (2014). Spectrometric Identification of Organic Compounds. Wiley.
- Pavia, D. L., Lampman, G. M., Kriz, G. S., & Vyvyan, J. R. (2015). Introduction to Spectroscopy: A Guide for Students of Organic Chemistry. Cengage Learning.
