2-Hydroxy-2,5-dimethylhexanedial

Base Information

• Chemical Name: 2-Hydroxy-2,5-dimethylhexanedial
• CAS No.: 6970-59-8
• Molecular Formula: C8H14O3
• Molecular Weight: 158.195
• Hs Code.: 2912491000
• NSC Number: 62028
• UNII: 61WO8L0DOL
• DSSTox Substance ID: DTXSID00989861
• Nikkaji Number: J49.392I
• Wikidata: Q27894645
• Mol file: 6970-59-8.mol

Synonyms:2-hydroxy-2,5-dimethylhexanedial;2,5-Dimethyl-2-hydroxyadipaldehyde;6970-59-8;Hexanedial, 2-hydroxy-2,5-dimethyl-;2,5-Dimethyl-2-hydroxyhexanedial;NSC 62028;BRN 1766257;61WO8L0DOL;HEXANEDIAL, 2,5-DIMETHYL-2-HYDROXY-;NSC-62028;4-01-00-04160 (Beilstein Handbook Reference);NSC62028;Hexanedial,5-dimethyl-;UNII-61WO8L0DOL;WLN: VHY1&2XQ1&VH;DTXSID00989861;Hexanedial,5-dimethyl-2-hydroxy-;LS-75016;Q27894645

Chemical Property of 2-Hydroxy-2,5-dimethylhexanedial

Chemical Property:

• Vapor Pressure: 0.00561mmHg at 25°C
• Boiling Point: 242.9°Cat760mmHg
• Flash Point: 115°C
• PSA: 54.37000
• Density: 1.032g/cm³
• LogP: 0.55150
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(C)(C=O)O)C=O

Technology Process of 2-Hydroxy-2,5-dimethylhexanedial

There total 3 articles about 2-Hydroxy-2,5-dimethylhexanedial 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:

2,5-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde (1920-21-4) → 5-hydroxy-2,5-dimethyl-tetrahydro-pyran-2-carbaldehyde (99115-09-0) + 2-hydroxy-2,5-dimethyl-adipaldehyde (6970-59-8)

Guidance literature:

With 1,4-dioxane; sulfuric acid;

Reference yield:

2,5-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde (1920-21-4) → 2-hydroxy-2,5-dimethyl-adipaldehyde (6970-59-8)

Guidance literature:

With 1,4-dioxane; sulfuric acid;

Reference yield:

1,4-dioxane (123-91-1,28347-88-8,28347-91-3,39449-24-6,54841-74-6) + 2,5-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde (1920-21-4) + sulfuric acid (7664-93-9) → 2-hydroxy-2,5-dimethyl-adipaldehyde (6970-59-8)

Guidance literature:

Versetzen der Reaktionsloesung mit wss. Natronlauge bis pH 7;

upstream raw materials:

2,5-dimethyl-3,4-dihydro-2H-pyran-2-carbaldehyde

1,4-dioxane

sulfuric acid

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