625-69-4

Basic information

• Product Name: 2,4-PENTANEDIOL
• Synonyms: 2,4-DIHYDROXYPENTANE;2,4-PENTANDIOL;2,4-PENTANEDIOL;2,4-Amylene glycol;2,4-Amyleneglycol;2,4-Pentanediol (dl+meso);dl-2,4-Pentanediol;Isoamylene alcohol
• CAS NO: 625-69-4
• Molecular Formula: C₅H₁₂O₂
• Molecular Weight: 104.15
• EINECS: 210-907-5
• Product Categories: Organic Building Blocks;Oxygen Compounds;Polyols
• Mol File: 625-69-4.mol
• Article Data: 24

Chemical Properties

• Melting Point: 52.5°C
• Boiling Point: 201-202 °C(lit.)
• Flash Point: 215 °F
• Appearance: Appearance: clear, colourless to slightly yellowish liquid
• Density: 0.95 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0852mmHg at 25°C
• Refractive Index: n20/D 1.435(lit.)
• Storage Temp.: Store below +30°C.
• Solubility: Fully miscible.
• PKA: 14.74±0.20(Predicted)
• Sensitive: Hygroscopic
• BRN: 969186
• CAS DataBase Reference: 2,4-PENTANEDIOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-PENTANEDIOL(625-69-4)
• EPA Substance Registry System: 2,4-PENTANEDIOL(625-69-4)

Safety Data

• Safety Statements: 24/25
• WGK Germany: 2
• RTECS: SA0490000
• Hazardous Substances Data: 625-69-4(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to light yellow liquid

Uses

2,4-Pentanediol was used in the synthesis of chelated multinuclear complexes.

Safety Profile

Mildly toxic by ingestion and skin contact. Eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

InChI:InChI=1/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m0/s1

Upstream product

• 917-64-6 methyl magnesium iodide 
• 107-89-1 acetaldol 
• 123-54-6 acetylacetone 
• 7664-93-9 sulfuric acid 
• 56-81-5 glycerol 
• 17227-17-7 2,2,4,6-tetramethyl-[1,3]dioxane 
• 4161-60-8 4-hydroxypentan-2-one 
• 7732-18-5 water 
• 64-17-5 ethanol 
• 60-29-7 diethyl ether 
• 22520-29-2 syn-3,4-epoxy-2-pentanol 
• 63315-69-5 (-)-(4R)-4-hydroxypentan-2-one 
• 17615-19-9 3,4-pentadien-2-ol 

Downstream Products

• 89238-89-1 (4R,6R)-4,6-Dimethyl-2-(4-nitro-phenyl)-[1,3]dioxane 
• 137626-21-2 rel-(2S,4R,6S)-4,6-dimethyl-2-(4'-nitrophenyl)-1,3-dioxane 
• 3950-21-8 (2R,4S)-2,4-pentanediol 
• 1825-14-5 DL-pentan-2,4-diol 
• 6414-24-0 4,6-dimethyl-2-(prop-1-enyl)-1,3-dioxane 
• 4161-60-8 4-hydroxypentan-2-one 
• 3102-33-8 trans-3-penten-2-one 
• 75-07-0 acetaldehyde 
• 107-87-9 2-Pentanone 
• 67-63-0 isopropyl alcohol 
• 67-64-1 acetone 
• 62118-71-2 (4RS,6SR)-2-phenyl-2,4,6-trimethyl-1,3-dioxane 
• 78370-52-2 2-phenyl-cis-4,6-dimethyl-1,3,2-dithiaphosphorinane 
• 78370-52-2 2-phenyl-cis-4,6-dimethyl-1,3,2-dithiaphosphorinane 

Relevant articles and documents

Synthesis and Applications of (Pyridyl)imine Fe(II) Complexes as Catalysts in Transfer Hydrogenation of Ketones

Abstract: Chiral (pyridyl)imine Fe(II) complexes, [Fe(L1)3]2+[PF6?]2, (Fe1), [Fe(L2)3]2+[PF6?]2, (Fe2), [Fe(L3)3]2+[PF6?]2 (Fe3), and [Fe(L4)3]2+[PF6?]2 (Fe4) were synthesised by reactions of synthons (S-)-1-phenyl-N-(pyridine-2-yl) ethylidine)ethanamine (L1), (R-)-1-phenyl-N-(pyridine-2-yl) ethylidine) ethanamine (L2), (S)-1-phenyl-N-(pyridine-2-yl methylene) ethanamine (L3) and (S)-1-phenyl-N-(pyridine-2-yl methylene)ethanamine (L4) with the FeCl2 salt. The solid-state structure of complex Fe4 showed that the?Fe atom contains three units of bidentate bound ligand L4 to form a six-coordinate cationic compound. The Fe(II) complexes were evaluated as catalysts in asymmetric transfer hydrogenation of ketones reactions and showed moderate catalytic activities with low enantioselectivity. Catalytic activities of the respective complexes were regulated by the nature of the metal complexes, ketone substrate and reaction conditions. Mercury and sub-stoichiometric poisoning experiments implicate possible formation of both active Fe(0) nanoparticles and Fe(II) homogeneous intermediates. Graphic Abstract: [Figure not available: see fulltext.]

Method for preparing beta-diol from beta-diketone by hydrogenation

The invention relates to a method for preparing beta-diol from beta-diketone by hydrogenation. The method comprises the following steps: in the presence of a catalyst and under the fixed-bed hydrotreating reaction condition, enabling beta-diketone to be in contact with hydrogen, so as to obtain beta-diol, wherein the catalyst contains CuO and ZnO, preferably also contains Al2O3, and more preferably also contains alkali metal oxides. According to the method for preparing beta-diol from beta-diketone by hydrogenation, provided by the invention, the technology of continuously producing beta-diol by adopting a fixed bed device is realized, the technology is simple and convenient to operate, the utilization ratio of raw materials and the production efficiency of products are improved, the reaction does not need to be carried out under high pressure, and potential safety hazards are reduced.

Method for preparation of beta-diol

The present invention relates to a method for preparation of a beta-diol from a beta-diketone by hydrogenation, the method comprises contact reaction of the beta-diketone and hydrogen in the presence of a hydrogenation catalyst and under fixed bed reaction conditions, the hydrogenation catalyst is a non-noble metal catalyst, includes a metal component and a carrier, and can be prepared by a conventional method. The method uses a fixed bed hydrogenation process, and is free of environmental pollution, mild in operating conditions, and suitable for continuous production.