13195-73-8

Basic information

• Product Name: 3-octylpentane-2,4-dione
• Synonyms: 3-octylpentane-2,4-dione;3-Octyl-2,4-pentadione;3-Octyl-2,4-pentanedione;Einecs 236-158-4
• CAS NO: 13195-73-8
• Molecular Formula: C₁₃H₂₄O₂
• Molecular Weight: 212.32846
• EINECS: 236-158-4
• Mol File: 13195-73-8.mol

Chemical Properties

• Boiling Point: 292.7°Cat760mmHg
• Flash Point: 109.1°C
• Appearance: /
• Density: 0.893g/cm³
• Vapor Pressure: 0.00181mmHg at 25°C
• Refractive Index: 1.437
• CAS DataBase Reference: 3-octylpentane-2,4-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 3-octylpentane-2,4-dione(13195-73-8)
• EPA Substance Registry System: 3-octylpentane-2,4-dione(13195-73-8)

Safety Data

• Hazardous Substances Data: 13195-73-8(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
3-Octylpentane-2,4-dione is used as a precursor in the synthesis of pharmaceutical compounds for its ability to facilitate the creation of complex organic molecules that can be utilized in medicinal applications.
Used in Plastics Industry:
In the plastics industry, 3-Octylpentane-2,4-dione serves as a precursor for the production of various plastic materials, contributing to the development of new types of plastics with specific properties.
Used in Coatings Industry:
3-Octylpentane-2,4-dione is utilized as a component in the formulation of coatings, enhancing their performance characteristics such as durability and resistance to environmental factors.
Used in Antioxidant Production for Food and Cosmetics:
Leveraging its antioxidant properties, 3-Octylpentane-2,4-dione is used in the production of antioxidants for both the food and cosmetics industries, helping to extend the shelf life of products and maintain their quality.
Used in Environmentally Friendly Applications:
Recognized for its quick degradation in the environment, 3-Octylpentane-2,4-dione is considered an environmentally friendly chemical, suitable for applications where reduced ecological impact is desired.

InChI:InChI=1/C13H24O2/c1-4-5-6-7-8-9-10-13(11(2)14)12(3)15/h13H,4-10H2,1-3H3

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Relevant articles and documents

Highly efficient aggregation-induced room-temperature phosphorescence with extremely large Stokes shift emitted from trinuclear gold(I) complex crystals

Highly efficient (≈75% quantum yield), aggregation-induced phosphorescence is reported. The phosphorescence is emitted at room temperature and in the presence of air from crystals of trinuclear Au(I) complexes, accompanied by an extremely large Stokes shift of 2.2 × 104 cm?1 (450 nm). The mechanism of the aggregation-induced room-temperature phosphorescence from the Au complex crystals was investigated in terms of the crystal packing structure and the primary structure of the molecules. It was found that two kinds of intermolecular interactions occurred in the crystals, and that these multiple dual-mode intermolecular interactions in the crystals play a crucial role in the in-air room-temperature phosphorescence of the trinuclear Au(I) complexes.

Forecasting columnar mesophases. Synthesis and structure of porphin derivatives

This paper examines the possibility of columnar mesophase (CM) predictions in a new series of porphin derivatives: polysubstituted phthalocyanines (I) and porphyrins (II, III). In order to reveal discogens, we have calculated the molecular parameters K, Kc, Ks, Kp, Mm, and Mr for 85 molecules, including compounds with few peripheral substituents. Introduction of a new electronic parameter, Ke, defining the electron density distribution from the center to the periphery of the discogen molecule, is discussed. Some of the compounds were synthesized, and their mesomorphism and structure were investigated in order to be able to verify the conclusions concerning CM prediction in the series of compounds under analysis.

Synthesis, Spectroelectrochemical Behavior, and Chiroptical Switching of Tris(β-diketonato) Complexes of Ruthenium(III), Chromium(III), and Cobalt(III)

Five tris(β-diketonato) complexes of ruthenium(III), chromium(III), and cobalt(III) [Ru(Buacac)3 (1), Ru(Oacac)3 (2), Cr(Buacac)3 (3), Cr(Oacac)3 (4), and Co(Buacac)3 (5), where Buacac = 3-butylpentane-2,4-dionato and Oacac = 3-octylpentane-2,4-dionato] with a chiral propeller-like structure have been prepared. Ligands and complexes syntheses are presented together with characterization of the compounds by 1H and 13C NMR spectroscopy, mass spectrometry, IR, UV-vis, electronic circular dichroism (ECD) spectroscopy, electrochemistry studies, and first-principles calculations. The crystal structures of 1 and 5 have also been obtained and analyzed. A comparison of the 1H NMR spectra of diamagnetic (ligands and 5) and paramagnetic (1 and 2) species is presented. Optical resolution of the five complexes has been achieved for the first time by supercritical fluid chromatography using a chiral column, giving rise to very high purity grades in all cases. ECD measurements and calculations have led to the assignment of the absolute configuration, δ or λ, of each enantiomer for 1-5. Spectroelectrochemical UV-vis and ECD studies have been performed on ruthenium λ-2 and chromium λ-4 complexes, revealing their redox-triggered chiroptical switching confirming the noninnocence character of the β-diketonate ligands.

Oxovanadium(IV) complexes bearing substituted pentane-2,4-dionate ligands: Synthesis, structure and drying activity in solvent-borne alkyd paints

New oxovanadium(IV) pentane-2,4-dionate complexes decorated with long alkyl tails have been prepared and characterized by the spectroscopic methods and the X-ray crystallography. The increased solubility in non-polar organic solvents enabled to investigate the catalytic activity of the title compounds on various solvent-borne alkyd resins. The detailed study of the drying process reveals their excellent performance at considerably lower concentrations than usual for commertial cobalt-based driers. Furthermore, the oxovanadium(IV) compounds are highly active in wider range of concentration. Such lower sensitivity to precise dosage helps to avoid the overdose effect without necessity of other additives.

Tuning the structure and solubility of nanojars by peripheral ligand substitution, leading to unprecedented liquid-liquid extraction of the carbonate ion from water into aliphatic solvents

Nanojars, a novel class of neutral anion-incarcerating agents of the general formula [CuII(OH)(pz)]n (Cun; n = 27-31, pz = pyrazolate anion), efficiently sequester various oxoanions with large hydration energies from water. In this work, we explore whether substituents on the pyrazole ligand interfere with nanojar formation, and whether appropriate substituents could be employed to tune the solubility of nanojars in solvents of interest, such as long-chain aliphatic hydrocarbons (solvent of choice for large-scale liquid-liquid extraction processes) and water. To this end, we conducted a comprehensive study using 40 different pyrazole ligands, with one, two or three substituents in their 3-, 4- and 5-positions. The corresponding nanojars are characterized by single-crystal X-ray diffraction and/or electrospray-ionization mass spectrometry (ESI-MS). The results show that Cun-nanojars with various substituents in the pyrazole 4-position, including long chains, phenyl and CF3 groups, can be obtained. Straight chains are also tolerated at the pyrazole 3-position, and favor the Cu30-nanojar. Homoleptic nanojars, however, could not be obtained with phenyl or CF3 groups. Nevertheless, if used in mixture with the parent non-substituted pyrazole, sterically hindered pyrazoles do form heteroleptic nanojars. With 3,5-disubstituted pyrazoles, only heteroleptic nanojars are accessible. The crystal structure of novel nanojars (Bu4N)2[CO3?{Cu30(OH)30(3,5-Me2pz)y(pz)30-y}] (y = 14 and 15) is presented. We find that in contrast to the parent nanojar, which is insoluble in aliphatic solvents and water, nanojars with alkyl substituents are soluble in saturated hydrocarbon solvents, whereas nanojars based on novel pyrazoles, functionalized with oligoether chains, are readily soluble in water. Liquid-liquid extraction of carbonate from water under basic pH is presented for the first time.

COMPOUNDS WITH (SUBSTITUTED PHENYL)-PROPENAL MOIETY, THEIR DERIVATIVES, BIOLOGICAL ACTIVITY, AND USES THEREOF

The present invention includes compounds, pharmaceuticals and cosmetics having at least one (substituted phenyl)-propenal moiety. The compounds and compositions of the present invention are useful in the treatment or prevention of many medical conditions such as androgen associated conditions. The present invention also includes methods of treating a medical condition including an androgen associated condition, using at least one of the disclosed compounds.