4,4-Dimethyl-1-hexanol

Base Information

• Chemical Name: 4,4-Dimethyl-1-hexanol
• CAS No.: 6481-95-4
• Molecular Formula: C₈H₁₈O
• Molecular Weight: 130.23
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID10601385
• Wikidata: Q82498015
• Mol file: 6481-95-4.mol

Synonyms:4,4-DIMETHYL-1-HEXANOL;4,4-dimethylhexan-1-ol;6481-95-4;SCHEMBL497383;DTXSID10601385;VZWIUKUDEGQHIO-UHFFFAOYSA-N;AKOS006277448;DB-026932;EN300-200253

Chemical Property of 4,4-Dimethyl-1-hexanol

Chemical Property:

• Melting Point: -61.15°C (estimate)
• Refractive Index: 1.4330
• Boiling Point: 170.96°C (estimate)
• PSA: 20.23000
• Density: 0.8414 (estimate)
• LogP: 2.19510
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 67

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

4,4-DIMETHYL-1-HEXANOL 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)CCCO

Technology Process of 4,4-Dimethyl-1-hexanol

There total 4 articles about 4,4-Dimethyl-1-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:

methanol (67-56-1) + 3,3-dimethylpentane (562-49-2) → 4,4-Dimethyl-1-hexanol (6481-95-4) + 2,3,3-Trimethyl-1-pentanol (66576-25-8) + 3-Ethyl-3-methyl-1-pentanol (10524-71-7) + 3,3,4,5,6,6-Hexamethyl-octane

Guidance literature:

With mercury; for 17h; Yield given. Further byproducts given; Heating; Irradiation;

DOI:10.1021/ja00190a032

Reference yield:

→ 4,4-Dimethyl-1-hexanol (6481-95-4)

Guidance literature:

With air; Autoxydation;

DOI:10.1039/jr9510003344

Reference yield:

1,1-dimethylpropylmagnesium chloride (28276-08-6) + allyl bromide (106-95-6) → 4,4-Dimethyl-1-hexanol (6481-95-4)

Guidance literature:

Multistep reaction; (i), (ii) Br₂, (iii) Mg, (iv) (oxidation);

DOI:10.1016/S0040-4020(01)98366-8

upstream raw materials:

1,1-dimethylpropylmagnesium chloride

allyl bromide

methanol

3,3-dimethylpentane

Downstream raw materials:

4,4-Dimethyl-hexansaeure

2,3,3-trimethyl-tetrahydro-pyran

3-ethyl-3-methyl-tetrahydro-pyran

4,4-dimethyl-hexanal