1112-02-3 Usage
Description
ACETIC-2,2,2-D3 ACID, also known as deuterated acetic acid, is a stable isotope-labeled compound derived from acetic acid. It possesses three deuterium atoms, which differentiate it from its non-labeled counterpart. This unique characteristic makes it a valuable tool in analytical chemistry for the accurate quantification of acetic acid.
Used in Analytical Chemistry:
ACETIC-2,2,2-D3 ACID is used as an internal standard for the quantification of acetic acid by gas chromatography (GC) or liquid chromatography (LC) mass spectrometry. The incorporation of deuterium atoms into the molecule allows for the differentiation between the naturally occurring acetic acid and the labeled internal standard, ensuring accurate and reliable measurements in various applications.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, ACETIC-2,2,2-D3 ACID serves as a crucial component in the development and analysis of drug formulations containing acetic acid. By using this labeled compound as an internal standard, researchers can accurately determine the concentration of acetic acid in a sample, which is essential for ensuring the quality and efficacy of the final product.
Used in Environmental Science:
ACETIC-2,2,2-D3 ACID is also utilized in environmental science for the study of acetic acid's behavior in various ecosystems. The deuterated acetic acid can be used to trace the movement and transformation of acetic acid in the environment, providing valuable insights into its role in ecological processes.
Used in Food Industry:
In the food industry, ACETIC-2,2,2-D3 ACID is employed as an internal standard for the analysis of acetic acid in food products, such as vinegar and other fermented foods. This allows for the accurate determination of acetic acid content, which is important for quality control and ensuring product consistency.
Used in Cosmetics Industry:
In the cosmetics industry, ACETIC-2,2,2-D3 ACID is used as an internal standard for the quantification of acetic acid in cosmetic products. This helps in maintaining the desired pH levels and ensuring the stability and effectiveness of the products.
Check Digit Verification of cas no
The CAS Registry Mumber 1112-02-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,1,1 and 2 respectively; the second part has 2 digits, 0 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1112-02:
(6*1)+(5*1)+(4*1)+(3*2)+(2*0)+(1*2)=23
23 % 10 = 3
So 1112-02-3 is a valid CAS Registry Number.
InChI:InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3
1112-02-3Relevant articles and documents
Rotational isomerism of acetic acid isolated in rare-gas matrices: Effect of medium and isotopic substitution on IR-induced isomerization quantum yield and cis→ trans tunneling rate
Macoas,Khriachtchev,Pettersson,Fausto,Raesaenen
, p. 1331 - 1338 (2004)
The rotational isomerization of acetic acid was studied in Ar, Kr, and Xe matrices. Using resonant excitation of a number of modes in the 3500-7000 cm-1 region, the light induced trans→cis reaction was promoted. The quantum yields for this process were also measured for various acetic acid isotopologues and matrix materials. For excitation of acetic acid at energies above the predicted isomerization energy barrier, it was found that the measured quantum yields were in average 2%-3%, one order of magnitude smaller that the corresponding values known for formic acid.
Halford, J. O.,Anderson, L. C.
, p. 736 - 740 (1936)
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Burr
, p. 1481 (1957)
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Secondary deuterium isotope effects on the acidity of carboxylic acids and phenols
Perrin, Charles L.,Dong, Yanmei
, p. 4490 - 4497 (2008/02/04)
Secondary deuterium isotope effects (IEs) on acidities have been accurately measured by an NMR titration method applicable to a mixture of isotopologues. Deuteration definitely decreases the acidity of carboxylic acids and phenols, by up to 0.031 in the ΔpK per D. For aliphatic acids, the IEs decrease as the site of deuteration becomes more distant from the OH, as expected, but a surprising result is that IEs in both phenol and benzoic acid do not decrease as the site of deuteration moves from ortho to meta to para. The experimental data are supported by ab initio computations, which, however, substantially overestimate the IEs. The discrepancy does not seem to be due to solvation. The IEs originate in isotope-sensitive vibrations whose frequencies and zero-point energies are lowered upon deprotonation. In the simplest case, formate, the key vibration can be recognized as the C-H stretch, which is weakened by delocalization of the oxygen lone pairs. For the aromatic acids, delocalization cannot account for the near constancy of IEs from ortho, meta, and para deuteriums, but the observed IEs are consistent with calculated vibrational frequencies and electron densities. Moreover, the ability of the frequency analysis to account for the IEs is evidence against an inductive origin.