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1,5-Pentanediol

Base Information
  • Chemical Name:1,5-Pentanediol
  • CAS No.:111-29-5
  • Molecular Formula:C5H12O2
  • Molecular Weight:104.149
  • Hs Code.:29053980
  • European Community (EC) Number:203-854-4
  • NSC Number:5927
  • UNII:07UXZ0SCST
  • DSSTox Substance ID:DTXSID2041256
  • Nikkaji Number:J5.107A
  • Wikipedia:1,5-Pentanediol
  • Wikidata:Q161557
  • Metabolomics Workbench ID:134611
  • ChEMBL ID:CHEMBL448289
  • Mol file:111-29-5.mol
1,5-Pentanediol

Synonyms:1,5-pentanediol;1,5-pentanediol, disodium salt;1,5-pentanediol, sodium salt;1,5-pentanediol, titanium (4+) salt (4:1);pentane-1,5-diol

Suppliers and Price of 1,5-Pentanediol
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Usbiological
  • 1,5-Pentanediol
  • 1g
  • $ 312.00
  • Usbiological
  • 1,5-Pentanediol 98+%
  • 100g
  • $ 177.00
  • TRC
  • 1,5-Pentanediol
  • 50g
  • $ 95.00
  • TCI Chemical
  • 1,5-Pentanediol >97.0%(GC)
  • 500g
  • $ 54.00
  • TCI Chemical
  • 1,5-Pentanediol >97.0%(GC)
  • 25g
  • $ 16.00
  • Sigma-Aldrich
  • 1,5-Pentanediol for synthesis
  • 100 mL
  • $ 30.15
  • Sigma-Aldrich
  • 1,5-Pentanediol 96%
  • 100g
  • $ 37.10
  • Sigma-Aldrich
  • 1,5-Pentanediol 1,5-Pentanediol for synthesis. CAS 111-29-5, pH 7.5 (H O)., for synthesis
  • 8070610100
  • $ 31.50
  • Sigma-Aldrich
  • 1,5-Pentanediol 96%
  • 500g
  • $ 59.60
  • Sigma-Aldrich
  • 1,5-Pentanediol purum, ≥97.0% (GC)
  • 250ml
  • $ 49.80
Total 166 raw suppliers
Chemical Property of 1,5-Pentanediol
Chemical Property:
  • Appearance/Colour:clear colorless oily liquid 
  • Vapor Pressure:<0.01 mm Hg ( 20 °C) 
  • Melting Point:-18 °C 
  • Refractive Index:n20/D 1.450(lit.)  
  • Boiling Point:238.999 °C at 760 mmHg 
  • PKA:14.83±0.10(Predicted) 
  • Flash Point:129.444 °C 
  • PSA:40.46000 
  • Density:0.982 g/cm3 
  • LogP:0.14130 
  • Storage Temp.:Store at RT. 
  • Sensitive.:Hygroscopic 
  • Solubility.:Methanol (Slightly) 
  • Water Solubility.:Miscible 
  • XLogP3:-0.1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:4
  • Exact Mass:104.083729621
  • Heavy Atom Count:7
  • Complexity:25.3
Purity/Quality:

99.0% min *data from raw suppliers

1,5-Pentanediol *data from reagent suppliers

Safty Information:
  • Pictogram(s): Xn 
  • Hazard Codes: Xn:Harmful;
     
  • Safety Statements: 24/25 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Chemical Classes:Other Classes -> Alcohols and Polyols, Other
  • Canonical SMILES:C(CCO)CCO
  • Recent EU Clinical Trials:A randomized, double-blind, parallell-group, controlled study of topical pentane-1,5-diol hydrogel in patients with impetigo
  • General Description 1,5-Pentanediol (also known as 1,5-dihydroxypentane, pentamethylene glycol, or pentylene glycol) is a valuable C5 diol with applications in polymer synthesis and as an intermediate in chemical production. It can be selectively synthesized from biomass-derived furfural or 2-furancarboxylic acid via catalytic hydrogenolysis, achieving high yields (up to 71.4%) using bifunctional catalysts such as Pd-Ir-ReOx/SiO2 or Pt-based systems under optimized conditions. The selectivity and efficiency of its production depend on catalyst properties, including metal particle size, support effects, and reaction pathways, with key intermediates like tetrahydrofurfuryl alcohol facilitating the process. Additionally, homogeneous ruthenium catalysts can hydrogenate δ-valerolactone to 1,5-pentanediol, further expanding synthetic routes.
Technology Process of 1,5-Pentanediol

There total 176 articles about 1,5-Pentanediol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With hydrogen; In 1,4-dioxane; isopropyl alcohol; at 200 ℃; for 24h; under 48754.9 Torr;
DOI:10.1039/d0ra02003f
Guidance literature:
With 3% Pd/C; hydrogen; In isopropyl alcohol; at 219.84 ℃; for 40h; under 25858.1 Torr; Inert atmosphere;
Guidance literature:
With Cu(50),Zn(50) (X%); hydrogen; at 170 ℃; for 2h; under 112511 - 187519 Torr; Reagent/catalyst; Autoclave;
Refernces

The structure of the benzeneboronate of pentane-1,3,5-triol

10.1016/S0008-6215(00)84841-7

Phenylboronic anhydride (C6H5BO)2 is the key reactant in the formation of phenylboronic esters. It reacts with various diols and triols to form cyclic phenylboronic esters. It is solid at room temperature and highly reactive due to the presence of boron, which can form coordination bonds with the oxygen atoms in the alcohol. Pentane-1,3,5-triol (C5H12O3) is the main subject of this study. It reacts with phenylboronic anhydride to form specific phenylboronic ester structures. It is a polyol containing three hydroxyl groups at positions 1, 3, and 5, respectively, of the pentane backbone. These hydroxyl groups are reactive and can form coordination bonds with boron atoms. Propane-1,3-diol (C3H8O2) is a diol containing hydroxyl groups at positions 1 and 3, respectively, of the propane backbone. It is a liquid at room temperature and is used to compare the reactivity with other diols and triols. It is used as a reference diol to study the formation of phenylboronic esters. It reacts with phenylboronic anhydride to form cyclic phenylboronic esters. Pentane-1,5-diol (C5H12O2), a diol with hydroxyl groups at positions 1 and 5 of the pentane backbone. It is a liquid at room temperature and helps to understand the formation of larger ring structures. It is used to study the formation of phenylboronic esters. It reacts with phenylboronic anhydride to form cyclic phenylboronic esters. Hexane-1,6-diol (C6H14O2), a diol with hydroxyl groups at positions 1 and 6 of the hexane backbone. It is a liquid at room temperature and helps to understand the formation of larger ring structures. It is used to study the formation of phenylboronic esters. It reacts with phenylboronic anhydride to form cyclic phenylboronic esters.

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