(R)-3,7-dimethyl-1-octanol

Base Information

• Chemical Name: (R)-3,7-dimethyl-1-octanol
• CAS No.: 1117-60-8
• Molecular Formula: C10H22 O
• Molecular Weight: 158.284
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID201310268
• Nikkaji Number: J1.542.484B
• Mol file: 1117-60-8.mol

Synonyms:1-Octanol,3,7-dimethyl-, (R)-; 1-Octanol, 3,7-dimethyl-, (R)-(+)- (8CI);(+)-(R)-Dihydrocitronellol; (R)-(+)-3,7-Dimethyloctanol; (R)-Dihydrocitronellol;(R)-Tetrahydrogeraniol

Chemical Property of (R)-3,7-dimethyl-1-octanol

Chemical Property:

• Melting Point: -1.53°C (estimate)
• Refractive Index: 1.4097 (estimate)
• Boiling Point: 212.55°C
• PKA: 15.13±0.10(Predicted)
• PSA: 20.23000
• Density: 0.8454 (estimate)
• LogP: 2.83120
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 78.9

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)CCO
• Isomeric SMILES: C[C@H](CCCC(C)C)CCO

Technology Process of (R)-3,7-dimethyl-1-octanol

There total 4 articles about (R)-3,7-dimethyl-1-octanol 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:

(R)-Citronellal (2385-77-5) → (3R)-citronellol (1117-61-9) + (-)-menthol (2216-51-5) + isopulegol (7786-67-6,18674-65-2,20549-46-6,21290-09-5,29141-10-4,50373-36-9,59905-53-2,59905-54-3,96612-21-4,104870-56-6,121468-66-4,122517-60-6,122517-61-7,144541-38-8,89-79-2) + (R)-3,7-dimethyloctan-1-ol (1117-60-8)

Guidance literature:

With Ir-Beta zeolite; hydrogen; In cyclohexane; at 25 ℃; for 20h; under 11250.9 Torr; Further Variations:; Pressures; Solvents; Temperatures; time; Product distribution;

DOI:10.1039/b403692a

Reference yield:

Geraniol (106-24-1) → (S)-3,7-dimethyl-6-octen-1-ol (7540-51-4) + (3R)-citronellol (1117-61-9) + (R)-3,7-dimethyloctan-1-ol (1117-60-8)

Guidance literature:

With hydrogen; {RuI((R)-2,2'-bis(diphenylphospino)-1,1'-binaphthyl)(p-cymene)}I; In methanol; water; at 20 ℃; for 8h; under 76000 Torr; Yield given. Yields of byproduct given;

DOI:10.1021/jo00090a026

Reference yield:

(E/Z)-3,7-dimethyl-2,6-octadienal (5392-40-5,96680-15-8) → (3R)-citronellol (1117-61-9) + (R)-3,7-dimethyloctan-1-ol (1117-60-8)

Guidance literature:

With cobalt boride; hydrogen; In hexane; at 149.84 ℃; for 4h; under 37503.8 Torr; Reagent/catalyst; Temperature; Autoclave;

DOI:10.1016/j.jcat.2017.06.009

upstream raw materials:

Geraniol

(R)-Citronellal

(E/Z)-3,7-dimethyl-2,6-octadienal

Downstream raw materials:

((4R,8R)-4,8,12-trimethyl-tridec-1-en-t-yl)-benzene

dihydro-(R)-(+)-β-citronellyl tosylate

3-O-[(R)-3,7-dimethyloctyl]-1-O-(tert-butyldiphenylsilyl)-sn-glycerol

3-(4,8-dimethylnonyl)-4'-methoxybenzophenone