2-Hydroxyhexanedial

Base Information

• Chemical Name: 2-Hydroxyhexanedial
• CAS No.: 141-31-1
• Molecular Formula: C6H10O3
• Molecular Weight: 130.144
• Hs Code.: 2912491000
• European Community (EC) Number: 205-479-1
• NSC Number: 11064
• DSSTox Substance ID: DTXSID401030345
• Nikkaji Number: J21.632A
• Mol file: 141-31-1.mol

Synonyms:2-Hydroxyhexanedial;141-31-1;2-Hydroxyadipaldehyde;Hydroxyadipaldehyde;HEXANEDIAL, 2-HYDROXY-;EINECS 205-479-1;NSC 11064;.alpha.-Hydroxyadipaldehyde;BRN 1703104;4-01-00-04155 (Beilstein Handbook Reference);NSC11064;alpha-Hydroxyhexanedial;WLN: VHYQ3VH;SCHEMBL810107;DTXSID401030345;NSC-11064;AKOS006283060;LS-75017

Chemical Property of 2-Hydroxyhexanedial

Chemical Property:

• Vapor Pressure: 0.0123mmHg at 25°C
• Melting Point: -3.4°C
• Refractive Index: 1.44
• Boiling Point: 230.682 °C at 760 mmHg
• PKA: 13.25±0.20(Predicted)
• Flash Point: 107.588 °C
• PSA: 54.37000
• Density: 1.084 g/cm³
• LogP: -0.08460
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 130.062994177
• Heavy Atom Count: 9
• Complexity: 90.3

Purity/Quality:

90%, ^*data from raw suppliers

2-HYDROXY ADIPALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC=O)CC(C=O)O
• Uses: Intermediate, insolubilizing agent for proteins and polyhydroxy materials, cross-linking agent for polyvinyl compounds, shrinkage control agent (textiles).

Technology Process of 2-Hydroxyhexanedial

There total 2 articles about 2-Hydroxyhexanedial 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:

acrolein dimer (100-73-2) → 2-hydroxyadipaldehyde (141-31-1)

Guidance literature:

With sulfuric acid;

Reference yield:

→ 2-hydroxyadipaldehyde (141-31-1)

Guidance literature:

DOI:10.1021/jo01037a525

Reference yield:

2-hydroxyadipaldehyde (141-31-1) → Tetrahydropyran-2-methanol (100-72-1)

Guidance literature:

Multi-step reaction with 2 steps

1: water; nickel / Hydrogenation

2: 150 °C

With water; nickel;

upstream raw materials:

acrolein dimer

Downstream raw materials:

hexane-1,2,6-triol

Tetrahydropyran-2-methanol