3,5-Dimethyl-3-hexanol

Base Information

• Chemical Name: 3,5-Dimethyl-3-hexanol
• CAS No.: 4209-91-0
• Deprecated CAS: 19113-78-1
• Molecular Formula: C8H18 O
• Molecular Weight: 130.23
• Hs Code.: 2905199090
• European Community (EC) Number: 224-136-7
• NSC Number: 95422
• DSSTox Substance ID: DTXSID10871288
• Nikkaji Number: J100.385B
• Mol file: 4209-91-0.mol

Synonyms:3,5-Dimethyl-3-hexanol;4209-91-0;3,5-Dimethylhexan-3-ol;3-Hexanol, 3,5-dimethyl-;EINECS 224-136-7;NSC 95422;AI3-24973;NSC95422;SCHEMBL543718;DTXSID10871288;MFCD00021823;NSC-95422;AKOS009157077;3-Hexanol, 3,5-dimethyl-, (.+/-.)-;CS-0327379;D1971;FT-0614661;D89963;A872950

Chemical Property of 3,5-Dimethyl-3-hexanol

Chemical Property:

• Vapor Pressure: 1.3mmHg at 25°C
• Melting Point: -61.15°C (estimate)
• Refractive Index: 1.4250-1.4270
• Boiling Point: 152.5°Cat760mmHg
• PKA: 15.38±0.29(Predicted)
• Flash Point: 56.6°C
• PSA: 20.23000
• Density: 0.821g/cm³
• LogP: 2.19350
• Storage Temp.: 2-8°C
• 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: 78.6

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethyl-3-hexanol >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)(CC(C)C)O

Technology Process of 3,5-Dimethyl-3-hexanol

There total 22 articles about 3,5-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:

ethylmagnesium bromide (925-90-6) + 4-methyl-2-pentanone (108-10-1) → 3,5-Dimethyl-3-hexanol (4209-91-0)

Guidance literature:

With diethyl ether;

Reference yield:

dimethyl-3,5 hexadiene-1-5 ol-3 (17123-64-7) → 3,5-Dimethyl-3-hexanol (4209-91-0)

Guidance literature:

With hydrogen;

DOI:10.1021/ja00990a019

Reference yield:

ethyl 2-isopropylacetoacetate (1522-46-9) → 3,5-Dimethyl-3-hexanol (4209-91-0)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH-solution

2: diethyl ether

With potassium hydroxide; diethyl ether;

upstream raw materials:

ethylmagnesium iodide

4-methyl-2-pentanone

ethylmagnesium bromide

isobutylmagnesium bromide

Downstream raw materials:

2,4-dimethylhexane

4-Chlor-2,4-dimethyl-hexan

3,5-dimethyl-hex-2-ene

4-Hydroxy-4-methyl-2-pentanone

Refernces

• 1、 Alvisi, Chiara,Casolari, Sonia,Costa, Anna Luisa,Ritiani, Monica,Tagliavini, Emilio. "Addition of Dinlkylzinc to Ketones in the Presence of Silylating Agents: Synthesis of Functionalized Tertiary Silyl Ethers". . p. 1330 - 1333. Retrieved 2007/10/03.
• 2、 Maruyama, Kazuhiro,Iwamoto, Hidetoshi,Soga, Osamu,Takuwa, Akio. "Oxidizing Action of Hydroperoxides. Oxidation of Alkyl Aryl Ketones by Hydroperoxides". . p. 2161 - 2164. Retrieved 2007/10/02.