3,7-Dimethyloct-6-en-3-ol

Base Information

• Chemical Name: 3,7-Dimethyloct-6-en-3-ol
• CAS No.: 18479-51-1
• Deprecated CAS: 2270-57-7,94006-45-8,94006-45-8
• Molecular Formula: C10H20O
• Molecular Weight: 156.268
• Hs Code.: 2905299090
• European Community (EC) Number: 242-359-8
• UNII: VW0O7I863L
• DSSTox Substance ID: DTXSID1044809
• Nikkaji Number: J208.378G
• Wikidata: Q27292047
• Metabolomics Workbench ID: 130610
• ChEMBL ID: CHEMBL3183324
• Mol file: 18479-51-1.mol

Synonyms:1,2-dihydrolinalool;3,7-dimethyloct-6-en-3-ol

Chemical Property of 3,7-Dimethyloct-6-en-3-ol

Chemical Property:

• Vapor Pressure: 0.0192mmHg at 25°C
• Melting Point: -4.05°C (estimate)
• Refractive Index: 1.4569 (20℃)
• Boiling Point: 223.7 °C at 760 mmHg
• PKA: 15.32±0.29(Predicted)
• Flash Point: 100.5 °C
• PSA: 20.23000
• Density: 0.846 g/cm³
• LogP: 2.89380
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99.9% ^*data from raw suppliers

Dihydrolinalool >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)(CCC=C(C)C)O

Technology Process of 3,7-Dimethyloct-6-en-3-ol

There total 19 articles about 3,7-Dimethyloct-6-en-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: 99.0%

3,7-dimethylocta-1,6-dien-3-ol (78-70-6) → dihydrolinalool (18479-51-1,2270-57-7,94006-45-8)

Guidance literature:

With fac-[Mn(1,2-bis(di-isopropylphosphino)ethane)(CO)₃(CH₂CH₂CH₃)]; hydrogen; In diethyl ether; at 25 ℃; for 18h; under 37503.8 Torr;

DOI:10.1021/acscatal.9b03963

Reference yield: 94.0%

1-(1-Ethyl-1,5-dimethyl-hex-4-enyloxymethoxy)-4-methoxy-benzene (124068-47-9) → dihydrolinalool (18479-51-1,2270-57-7,94006-45-8)

Guidance literature:

With ammonium cerium(IV) nitrate; In water; acetonitrile; at 0 ℃; for 0.5h; Product distribution;

DOI:10.1246/cl.1999.659

Reference yield: 92.0%

6-Methyl-hept-5-en-2-on (110-93-0,129085-68-3) + ethylmagnesium bromide (925-90-6) → dihydrolinalool (18479-51-1,2270-57-7,94006-45-8)

Guidance literature:

In diethyl ether; Heating;

upstream raw materials:

ethylmagnesium iodide

6-Methyl-hept-5-en-2-on

ethylmagnesium bromide

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

Downstream raw materials:

dihydrolinalool acetate

2,6-bis-benzylsulfanyl-2,6-dimethyl-octane

1-(1-Ethyl-1,5-dimethyl-hex-4-enyloxymethoxy)-4-methoxy-benzene

2,6-dimethyloctane