3,7-Dimethyloctan-3-ol

Base Information

• Chemical Name: 3,7-Dimethyloctan-3-ol
• CAS No.: 78-69-3
• Deprecated CAS: 57706-88-4
• Molecular Formula: C10H22O
• Molecular Weight: 158.284
• Hs Code.: 2905.19
• European Community (EC) Number: 201-133-9,260-912-1
• NSC Number: 128151
• UNII: UM4XS5M134
• DSSTox Substance ID: DTXSID7029110
• Nikkaji Number: J354I
• Wikidata: Q27157612
• RXCUI: 2373947
• Metabolomics Workbench ID: 46892
• ChEMBL ID: CHEMBL3183871
• Mol file: 78-69-3.mol

Synonyms:2,6-dimethyl-6-octanol;3,7-dimethyloctan-3-ol;tetrahydrolinalool

Chemical Property of 3,7-Dimethyloctan-3-ol

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 0.115mmHg at 25°C
• Melting Point: -1.53°C (estimate)
• Refractive Index: 1.431 - 1.434
• Boiling Point: 194.5 °C at 760 mmHg
• PKA: 15.34±0.29(Predicted)
• Flash Point: 76.1 °C
• PSA: 20.23000
• Density: 0.828 g/cm³
• LogP: 2.97370
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 320mg/L at 25℃
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 99

Purity/Quality:

99% ^*data from raw suppliers

Tetrahydrolinalool >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCC(C)(CCCC(C)C)O
• Uses: Perfumery, flavoring.

Technology Process of 3,7-Dimethyloctan-3-ol

There total 35 articles about 3,7-Dimethyloctan-3-ol 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: 98.0%

2,6-dimethyl-6-(triphenylsilyloxy)octane → tetrahydrolinalool (78-69-3,57706-88-4)

Guidance literature:

With naphthalene; lithium; In tetrahydrofuran; methanol; at 20 ℃; for 5h;

DOI:10.1016/j.tet.2005.03.145

Reference yield: 94.0%

6-Methoxymethoxy-2,6-dimethyl-octane (144708-84-9) → tetrahydrolinalool (78-69-3,57706-88-4)

Guidance literature:

With methanol; DOWEX-50W-X₂; for 2h; Heating;

DOI:10.1080/00397919208021548

Reference yield: 93.0%

3,7-dimethylocta-1,6-dien-3-ol (78-70-6) → tetrahydrolinalool (78-69-3,57706-88-4)

Guidance literature:

With ammonium chloride; In methanol; Electrochemical reaction;

DOI:10.1016/S0040-4039(03)01035-9

upstream raw materials:

linalool

3,7-dimethylocta-1,6-dien-3-ol

3-methyl-1-butyl acetate

ethylmagnesium bromide

Downstream raw materials:

Tetrahydrolinalychlorid

acetone

6-methylheptan-2-one

butanone

Refernces

• 1、 Upadhyay, Praveenkumar,Srivastava, Vivek. "Ruthenium nanoparticle-intercalated montmorillonite clay for solvent-free alkene hydrogenation reaction". . p. 740 - 745. Retrieved 2015/02/05.
• 2、 Gómez, Laura,Canta, Merceì,Font, David,Prat, Irene,Ribas, Xavi,Costas, Miquel. "Regioselective oxidation of nonactivated alkyl C-H groups using highly structured non-heme iron catalysts". . p. 1421 - 1433. Retrieved 2013/03/29.