2,5-Dimethylhexane-1,6-diyl diacetate

Base Information

• Chemical Name: 2,5-Dimethylhexane-1,6-diyl diacetate
• CAS No.: 89182-68-3
• Molecular Formula: C₁₂H₂₂O₄
• Molecular Weight: 230.304
• NSC Number: 97568
• DSSTox Substance ID: DTXSID30294652
• Mol file: 89182-68-3.mol

Synonyms:89182-68-3;2,5-dimethylhexane-1,6-diyl diacetate;2,5-DIMETHYL-1,6-HEXANEDIOL DIACETATE;NSC97568;SCHEMBL22689608;DTXSID30294652;NSC-97568;AKOS024332506

Chemical Property of 2,5-Dimethylhexane-1,6-diyl diacetate

Chemical Property:

• Vapor Pressure: 0.00216mmHg at 25°C
• Boiling Point: 289.7°Cat760mmHg
• Flash Point: 133°C
• PSA: 52.60000
• Density: 0.982g/cm³
• LogP: 2.16500
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 230.15180918
• Heavy Atom Count: 16
• Complexity: 201

Purity/Quality:

2,5-DIMETHYL-1,6-HEXANEDIOL DIACETATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,5-Dimethylhexane-1,6-diyl diacetate

There total 3 articles about 2,5-Dimethylhexane-1,6-diyl diacetate 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:

potassium acetate (127-08-2) → (S,S)-1,6-diacetoxy-2,5-dimethyl-hexane (89182-68-3)

Guidance literature:

With acetic acid butyl ester; acetic acid;

Reference yield:

potassium acetate (127-08-2) → (R,R)-1,6-diacetoxy-2,5-dimethyl-hexane (89182-68-3)

Guidance literature:

With acetic acid butyl ester; acetic acid;

Reference yield:

→ 1,6-Diacetoxy-2,5-dimethyl-hexan (89182-68-3)

Guidance literature:

2,5-Dimethyl-hexandiol-(1,6), Ac2O, 150 - 160grad;

upstream raw materials:

potassium acetate