4984-85-4

Basic information

• Product Name: PROPIOIN
• Synonyms: 3-Hexanone, 4-hydroxy-;3-Hydroxy-4-hexanone;Ethyl alpha-hydroxypropyl ketone;4-HYDROXY-3-HEXANONE;PROPIONOIN;PROPIOIN;TIMTEC-BB SBB008173;4-hydroxyhexan-3-one
• CAS NO: 4984-85-4
• Molecular Formula: C₆H₁₂O₂
• Molecular Weight: 116.16
• EINECS: 225-637-3
• Mol File: 4984-85-4.mol
• Article Data: 26

Chemical Properties

• Melting Point: -3.75°C (estimate)
• Boiling Point: 167 °C
• Flash Point: 54 °C
• Appearance: /
• Density: 0,95 g/cm3
• Vapor Pressure: 0.701mmHg at 25°C
• Refractive Index: 1.4340 (589.3 nm 21℃)
• PKA: 13.03±0.20(Predicted)
• CAS DataBase Reference: PROPIOIN(CAS DataBase Reference)
• NIST Chemistry Reference: PROPIOIN(4984-85-4)
• EPA Substance Registry System: PROPIOIN(4984-85-4)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22-10
• Safety Statements: 26-36/37/39-36/37
• RIDADR: UN 1993C 3 / PGIII
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 4984-85-4(Hazardous Substances Data)

Usage

General Description

"Propionin" seems to be a misspelled term and there is no notable chemical substance known specifically by this name. A potentially related term, "Propionin", is not recognized in the chemistry field. However, a potentially related compound that's well-known is "Propionin acid" also known as "propanoic acid". This is a naturally occurring carboxylic acid that is a common component in human and animal metabolism. It's frequently used as a food preservative and as an ingredient in fragrances and cosmetics. It's also used in agriculture, for animal feed and for crop-protection purposes.

InChI:InChI=1/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3

Upstream product

• 71660-00-9 propionic acid pin-2-en-10-yl ester 
• 64-18-6 formic acid 
• 13269-52-8 trans-3-Hexene 
• 4437-51-8 3,4-hexanedione 
• 6802-75-1 diethyl isopropylidenemalonate 
• 123-38-6 propionaldehyde 
• 922-17-8 hexane-3,4-diol 
• 74-85-1 ethene 
• 201230-82-2 carbon monoxide 
• 100-52-7 benzaldehyde 
• 123-72-8 butyraldehyde 
• 19700-96-0 hexa-1,5-diene-3,4-diol 
• 75-07-0 acetaldehyde 
• 22520-39-4 (3S,4R)-hexane-3,4-diol 

Downstream Products

• 73673-27-5 4,5-diethyl-1H-imidazole 
• 7476-39-3 3-phenyl-hexane-3,4-diol 
• 4437-51-8 3,4-hexanedione 
• 859973-30-1 3-cyclohexyl-hexane-3,4-diol 
• 13461-41-1 diethylene glycol monosalicylate 
• 589-38-8 n-hexan-3-one 
• 802294-64-0 propionic acid 
• 439145-77-4 2-amino-4,5-diethyloxazole 
• 25044-01-3 2-methyl-pent-1-en-3-one 
• 2497-21-4 4-hexen-3-one 
• 1848-84-6 2-ethylbenzimidazole 
• 3508-83-6 2,3-diethylquinoxaline 
• 1352457-21-6 2-phenyl-3-ethoxycarbonyl-4,5-diethylfuran 
• 1352438-95-9 C₁₃H₁₈O₄S 

Relevant articles and documents

Reaction of dialkylmagnesium with carbon monoxide. II

Reaction of MgEt2 with CO gives Et2CO, Et2CHOH, EtCOCH(OH)Et, EtCOCHEt2 and EtCOC(OH)Et2.The qualitative and quantitative composition of the product mixture was found to be dependent on the MgEt2 concentration and the polarity of solvent.The kinetic results reveal that reaction of CO with MgEt2 and with its dissociation product MgEt3-, followed by the formation of the Et2CO and EtCOCHEt2, respectively.The other compounds are formed in the subsequent reactions.The rate constants of formation of pentanone-3 and 4-ethylhexanone-3 are equal k1 0.292 s-1 and k2 0.450 s-1, respectively.

Development of Imidazoline-2-one Derivatives as Potential Antifungal and Anthelminthic Agents: in silico and in vitro Evaluation

Based on appropriate values of synthetic accessibility concerning from ADMET properties and docking scores by docking against proteins 3OZU and 1OJ0, a series of 4,5-diphenyl-1H-imidazol-2-ones (I1?15) were synthesized. The key intermediate, 2-hydroxy-1,2-disubstitutedethanones (E1?15) were prepared by benzoin condensation using 2:1 ratio of aromatic aldehydes and thiamine in the presence of alkali. Further, these cyclized ethanones (E1?15) were treated with urea to yield 4,5-diphenyl-1H-imidazol-2-one derivatives (I1?15) and were characterized by IR,1H NMR, Mass spectra, and CHNO analysis. The synthesized compounds were screened for their anthelmintic potential on Pheretima Posthuma along with standard albendazole, and antifungal activity (minimum inhibitory concentration method) on Candida albicans and Aspergillus niger along with standard miconazole. The results revealed that among all the tested compounds I3, I4, and I7 show considerable synthetic accessibility, docking scores, anthelminthic, and antifungal activity.

Preparation Method for 2,3-pentanedione

A preparation method for 2,3-pentanedione, including the steps of adding one or both of 3-hydroxy-2-pentanone and 2-hydroxy-3-pentanone into water and conducting mixing, and introducing ozone at the temperature of 3-20° C. for a reaction to obtain 2,3-pentanedione. The synthesis process of the present invention uses ozone for oxidizing a mixture containing 3-hydroxy-2-pentanone and 2-hydroxy-3-pentanone, acetic acid is used as a cocatalyst, reaction conditions are mild, the operation process is simple, the product yield is high, and the cost is low.

Preparation method of acyloin compounds

The invention relates to a preparation method of acyloin compounds, and belongs to the field of fine chemical industry. A new catalyst 1-n butyl benzimidazole hydrochloride is provided for synthesis of the acyloin compounds, and the products have the advantages of good quality and less side reactions; deficiencies existed in the prior art are overcome.