2,6-Dimethyl-2-heptanol

Base Information

• Chemical Name: 2,6-Dimethyl-2-heptanol
• CAS No.: 13254-34-7
• Deprecated CAS: 80450-43-7
• Molecular Formula: C9H20O
• Molecular Weight: 144.257
• Hs Code.: 2906199090
• European Community (EC) Number: 236-244-1
• UNII: 991142090Z
• DSSTox Substance ID: DTXSID6041424
• Nikkaji Number: J1.972.958C
• Wikidata: Q27272159
• ChEMBL ID: CHEMBL3187118
• Mol file: 13254-34-7.mol

Synonyms:2,6-dimethyl-2-heptanol

Chemical Property of 2,6-Dimethyl-2-heptanol

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 0.33mmHg at 25°C
• Melting Point: -10 °C
• Refractive Index: 1.425-1.427
• Boiling Point: 176.597 °C at 760 mmHg
• PKA: 15.34±0.29(Predicted)
• Flash Point: 69.971 °C
• PSA: 20.23000
• Density: 0.824 g/cm³
• LogP: 2.58360
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 144.151415257
• Heavy Atom Count: 10
• Complexity: 84.7

Purity/Quality:

99.9% ^*data from raw suppliers

2,6-Dimethylheptan-2-ol 98% ^*data from reagent suppliers

Safty Information:

• Statements: 41
• Safety Statements: 24/25-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)(C)O
• Uses: 2,?6-?Dimethyl-2-?heptanol is used in preparation and analytical study of perfumes . It is also used in preparation of 3''-ketoglycoside compounds with insect repellent effect.

Technology Process of 2,6-Dimethyl-2-heptanol

There total 9 articles about 2,6-Dimethyl-2-heptanol 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:

2,6-dimethylhept-5-en-2-ol (6090-15-9) → 2,6-dimethylheptan-2-ol (13254-34-7)

Guidance literature:

With nickel pumice stone; at 160 - 170 ℃; under 14 Torr; Hydrogenation;

Reference yield:

2,6-dimethyl-1-heptene (3074-78-0) → 2,6-dimethylheptan-2-ol (13254-34-7)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate; mercury(II) diacetate; water; Yield given. Multistep reaction; 1.) THF, RT, 20 min, 2.) THF, 10 min;

Reference yield:

2,6-dimethyl-hept-3-en-2-ol → 2,6-dimethylheptan-2-ol (13254-34-7)

Guidance literature:

With platinum; Hydrogenation;

upstream raw materials:

methyl magnesium iodide

ethyl isoamylacetate

2,6-dimethylhept-5-en-2-ol

6-methylheptan-2-one

Downstream raw materials:

2-chloro-2,6-dimethyl-heptane

(2,6-dimethylhept-2-yl)(phenyl)sulfane

4-(1,1,5-trimethylhexyl)-2,6-dimethoxyphenol

4(2',6'-dimethyl-2'-heptyl)-phenol

Refernces

• 1、 Orlovic, Mirko,Kronja, Olga,Humski, Kresimir,Borcic, Stanko,Polla, Eugenio. "Rates and Alkyl Group Size in Solvolysis of Alkyl Derivatives". . p. 3253 - 3256. Retrieved 2007/10/02.