5-Hydroxy-2-hexanone

Base Information

• Chemical Name: 5-Hydroxy-2-hexanone
• CAS No.: 56745-61-0
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16
• UNII: NQ2CZJ9GVT
• DSSTox Substance ID: DTXSID60972198
• Nikkaji Number: J468.924K
• Wikidata: Q26840923
• Mol file: 56745-61-0.mol

Synonyms:5-hydroxy-2-hexanone

Chemical Property of 5-Hydroxy-2-hexanone

Chemical Property:

• Vapor Pressure: 0.0583mmHg at 25°C
• Melting Point: -3.75°C (estimate)
• Refractive Index: 1.425
• Boiling Point: 205.766 °C at 760 mmHg
• Flash Point: 81.152 °C
• PSA: 37.30000
• Density: 0.948 g/cm³
• LogP: 0.73640
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 78.6

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)C)O

Technology Process of 5-Hydroxy-2-hexanone

There total 8 articles about 5-Hydroxy-2-hexanone 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:

Reference yield: 72.0%

2,5-hexanedione (110-13-4) → 3-Methyl-2-cyclopenten-1-one (2758-18-1) + 5-hydroxy-hexan-2-one (56745-61-0)

Guidance literature:

With bis(η5-cyclopentadienyl)hafnium dihydride; In isopropyl alcohol; at 80 ℃; for 8h;

DOI:10.1021/jo00251a016

Reference yield: 60.0%

3,6-dimethyl-1,2-dioxacyclohexane (59416-72-7) → 5-hydroxy-hexan-2-one (56745-61-0) + acetaldehyde (75-07-0,9002-91-9) + 2,5-hexanedione (110-13-4)

Guidance literature:

at 450 ℃; under 0.001 Torr; Product distribution; Mechanism;

DOI:10.1039/c39810000547

Reference yield:

5-hydroxymethyl-2-furfuraldehyde (67-47-0) → 5-Methylfurfural (620-02-0) + 2,5-bis-(hydroxymethyl)furan (1883-75-6) + 5-hydroxy-hexan-2-one (56745-61-0) + 2,5-hexanedione (110-13-4)

Guidance literature:

With 5 % platinum on carbon; hydrogen; In water; at 140 ℃; for 1h; under 52505.3 Torr; Autoclave;

DOI:10.1016/j.apcata.2019.04.007

upstream raw materials:

3,6-dimethyl-1,2-dioxacyclohexane

2,5-hexanedione

hexane-2,5-diol

5-hydroxymethyl-2-furfuraldehyde

Downstream raw materials:

2,5-hexanedione

(5R)-hydroxyhexane-2-one