2,5-Dimethyl-2-hexanol

Base Information

• Chemical Name: 2,5-Dimethyl-2-hexanol
• CAS No.: 3730-60-7
• Molecular Formula: C8H18O
• Molecular Weight: 130.23
• Hs Code.: 2905199090
• European Community (EC) Number: 223-085-8
• NSC Number: 5594
• UNII: P68RFU77XE
• DSSTox Substance ID: DTXSID50190763
• Nikkaji Number: J205.638K
• Wikidata: Q83063168
• Mol file: 3730-60-7.mol

Synonyms:2,5-DIMETHYL-2-HEXANOL;2,5-Dimethylhexan-2-ol;3730-60-7;2-Hexanol, 2,5-dimethyl-;2-Hexanol, 2,5-dimethyl-, (S)-;P68RFU77XE;NSC-5594;EINECS 223-085-8;2-Hexanol, 2,5-dimethyl-, (S)-(+)-;NSC5594;UNII-P68RFU77XE;2,5-dimethyl-hexan-2-ol;10-HYDROXYDECYLBUTYRATE;SCHEMBL1911360;DTXSID50190763;2-Hexanol,5-dimethyl-, (S)-;NSC 5594;MFCD00021814;AKOS009159398;SB83845;2-Hexanol,5-dimethyl-, (S)-(+)-;LS-08702;2-Hexanol, 2,5-dimethyl-, (S)-()-;D1968;FT-0610433;D89960;EN300-1839727

Chemical Property of 2,5-Dimethyl-2-hexanol

Chemical Property:

• Vapor Pressure: 0.961mmHg at 25°C
• Melting Point: -61.15°C (estimate)
• Refractive Index: 1.4220
• Boiling Point: 157.9 °C at 760 mmHg
• PKA: 15.35±0.29(Predicted)
• Flash Point: 56.6 °C
• PSA: 20.23000
• Density: 0.821 g/cm³
• LogP: 2.19350
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 74.6

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dimethyl-2-hexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.
• Hazard Codes: R10:Flammable.
• Statements: 10
• Safety Statements: 23-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCC(C)(C)O

Technology Process of 2,5-Dimethyl-2-hexanol

There total 16 articles about 2,5-Dimethyl-2-hexanol 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: 40.0%

5-hydroxy-2,5-dimethylhexan-2-yl methyl oxalate → 2,5-dimethylhexan-2-ol (3730-60-7)

Guidance literature:

With 2-(2'-pyridyl)benzimidazole; diphenylsilane; magnesium chloride; nickel dichloride; zinc; In N,N-dimethyl acetamide; at 40 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1055/a-1328-0352

Reference yield:

2,5-dihydroxy-2,5-dimethyl-3-hexyne (142-30-3) → 2,5-dimethylhexane (592-13-2) + 2,5-dimethylhexan-2-ol (3730-60-7)

Guidance literature:

bei der katalytischen Hydrierung entstehen je nach den Bedingungen verschiedene Produkte_.Hydrogenation;

Reference yield:

2,5-dihydroxy-2,5-dimethyl-3-hexyne (142-30-3) → 2,5-dimethylhexan-2-ol (3730-60-7)

Guidance literature:

With palladium on activated charcoal; Hydrogenation;

DOI:10.1021/ja01598a051

upstream raw materials:

2,5-dimethyl-2-nitroso-hexane

methyl magnesium iodide

5-Methyl-2-hexanone

(3-methylbutyl)magnesium bromide

Downstream raw materials:

2,5-dimethylhexane

(1,1,4-trimethyl-pentyl)-benzene

4-(1,1,4-Trimethyl-pentyl)-phenol

2,2,5,5-tetramethylpyrrolidine

Refernces

• 1、 Schneider, Hans-Joerg,Mueller, Walter. "Selektive Hydroxylierungen von chiralen und substituierten Paraffinen". . p. 153 - 154. Retrieved 2007/10/02.