3,4-Dimethyl-3-hexanol

Base Information

• Chemical Name: 3,4-Dimethyl-3-hexanol
• CAS No.: 19550-08-4
• Molecular Formula: C8H18 O
• Molecular Weight: 130.23
• Hs Code.: 2905199090
• European Community (EC) Number: 678-108-8
• NSC Number: 97526
• DSSTox Substance ID: DTXSID00941323
• Nikkaji Number: J208.454F
• Mol file: 19550-08-4.mol

Synonyms:3,4-Dimethyl-3-hexanol;19550-08-4;3,4-dimethylhexan-3-ol;3-Hexanol, 3,4-dimethyl-;NSC97526;2-Ethyl-3-methyl-2-pentanol;SCHEMBL4073692;DTXSID00941323;MFCD00021820;NSC 97526;NSC-97526;AKOS009158277;SB83898;CS-0328407;D1970;FT-0691987;D89962

Chemical Property of 3,4-Dimethyl-3-hexanol

Chemical Property:

• Vapor Pressure: 0.961mmHg at 25°C
• Melting Point: -61.15°C (estimate)
• Refractive Index: 1.4340 to 1.4360
• Boiling Point: 157.9°Cat760mmHg
• Flash Point: 56.6°C
• PSA: 20.23000
• Density: 0.821g/cm³
• LogP: 2.19350
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,4-Dimethyl-3-hexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C)(CC)O

Technology Process of 3,4-Dimethyl-3-hexanol

There total 10 articles about 3,4-Dimethyl-3-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: 57.0%

tri(sec-butyl)borane (1113-78-6) + butanone (78-93-3) → 3,4-dimethyl-3-hexanol (19550-08-4)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In tetrahydrofuran; N,N-dimethyl-formamide; for 7h; Ambient temperature; electrolysis with Pt/Cu electrodes;

DOI:10.1016/S0040-4039(98)00915-0

Reference yield:

2-ethyl-2-methyl-3-oxo-valeric acid ethyl ester (76352-70-0) → 3,4-dimethyl-3-hexanol (19550-08-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous HI; acetic acid

2: diethyl ether

With diethyl ether; hydrogen iodide; acetic acid;

Reference yield:

4-methyl-3-hexanone (17042-16-9) + methylmagnesium bromide (75-16-1) → 3,4-dimethyl-3-hexanol (19550-08-4)

Guidance literature:

With diethyl ether;

upstream raw materials:

4-methyl-3-hexanone

methylmagnesium bromide

ethylmagnesium bromide

3-methyl-pentan-2-one

Downstream raw materials:

(1-ethyl-1,2-dimethyl-butyl)-benzene

4-(1-ethyl-1,2-dimethyl-butyl)-phenol

trans-3,4-Dimethyl-3-hexene

2-ethyl-3-methylpent-1-ene

Refernces

• 1、 Choi, Jung Hoon,Youm, Jong Sung,Cho, Cheon-Gyu,Czae, Myung-Zoon,Hwang, Book Kee,Kim, Jung Sung. "Electrochemical alkyl transfer reactions of trialkylborane to carbonyl compounds by use of copper sacrificial anode". . p. 4835 - 4838. Retrieved 2007/10/03.