625-06-9 Usage
Description
2,4-DIMETHYL-2-PENTANOL is an organic compound with the molecular formula C7H16O. It is a secondary alcohol with two methyl groups attached to the second and fourth carbon atoms of the pentanol chain. This chemical structure endows it with unique properties that make it suitable for various applications in different industries.
Uses
Used in Solubility Modeling:
2,4-DIMETHYL-2-PENTANOL is used as a reference compound in the development of two reliable aqueous solubility models, ASMS (aqueous solubility based on molecular surface) and ASMS-?LOGP (aqueous solubility based on molecular surface using calculated log P (ClogP)). These models are essential for predicting the solubility of various compounds in water, which is a critical parameter in pharmaceutical, chemical, and environmental applications.
In the pharmaceutical industry, accurate solubility predictions are vital for drug design and formulation, as they help in determining the bioavailability and efficacy of a drug. In the chemical industry, understanding solubility is crucial for optimizing reaction conditions and process efficiency. In the environmental sector, solubility models can be used to assess the environmental impact of chemicals and their potential for contamination.
Additionally, 2,4-DIMETHYL-2-PENTANOL may have other applications in various industries, such as:
Used in the Flavor and Fragrance Industry:
2,4-DIMETHYL-2-PENTANOL can be used as a component in the creation of artificial flavors and fragrances due to its unique odor profile. Its ability to mimic natural scents can be beneficial in the development of perfumes, cosmetics, and food products.
Used in the Chemical Synthesis Industry:
As an organic compound, 2,4-DIMETHYL-2-PENTANOL can serve as a building block or intermediate in the synthesis of more complex molecules. It may be used in the production of pharmaceuticals, agrochemicals, or other specialty chemicals that require its specific structural features.
Used in the Fuel Industry:
2,4-DIMETHYL-2-PENTANOL could potentially be used as an additive in the fuel industry to improve the performance and efficiency of fuels. Its unique properties may contribute to better combustion, reduced emissions, or enhanced fuel stability.
Check Digit Verification of cas no
The CAS Registry Mumber 625-06-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,2 and 5 respectively; the second part has 2 digits, 0 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 625-06:
(5*6)+(4*2)+(3*5)+(2*0)+(1*6)=59
59 % 10 = 9
So 625-06-9 is a valid CAS Registry Number.
InChI:InChI=1/C7H16O/c1-6(2)5-7(3,4)8/h6,8H,5H2,1-4H3
625-06-9Relevant articles and documents
Controllable Intramolecular Unactivated C(sp3)-H Amination and Oxygenation of Carbamates
Guo, Qihang,Ren, Xiang,Lu, Zhan
supporting information, p. 880 - 884 (2019/05/16)
Dual catalyst-controlled intramolecular unactivated C(sp3)-H amination and oxygenation of carbamates merging visible-light photocatalysis and earth-abundant transition metal catalysis have been reported. Useful amino alcohol and diol derivatives could be selectively obtained from readily available tertiary alcohol derivatives. The possible mechanisms have been proposed via a 1,5-HAT process followed by Lewis acid-controlled cyclization. The nickel and zinc catalysts inhibit the formation of oxygenation and amination products, respectively. An interesting phenomenon of chirality transfer is also observed.
CuCl2.2H2O MeOH. A new reagent system for the deprotection of tetrahydropyranyl ethers
Davis, K. Joju,Bhalerao,Vittal Rao
, p. 2301 - 2308 (2007/10/03)
Cupric chloride dihydrate in methanol cleave the tetrahydropyranyl ethers to the corresponding alcohols in excellent yields under mild conditions.
Hydroxylierung acyclischer Alkane durch Sauerstoffatome O(3P) - ein Vergleich der Ozon- und O(3P)-Oxidation von Alkanen
Zadok, Elazar,Mazur, Yehuda
, p. 311 - 312 (2007/10/02)
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