3,7-Dimethyloct-7-en-1-ol

Base Information

• Chemical Name: 3,7-Dimethyloct-7-en-1-ol
• CAS No.: 141-25-3
• Molecular Formula: C₁₀H₂₀O
• Molecular Weight: 156.268
• European Community (EC) Number: 229-887-4,205-473-9
• DSSTox Substance ID: DTXSID2047193
• Nikkaji Number: J42.532J
• Wikipedia: Rhodinol
• Wikidata: Q67879666
• Metabolomics Workbench ID: 47660
• Mol file: 141-25-3.mol

Synonyms:3,7-dimethyl-7-octen-1-ol;rhodinol

Chemical Property of 3,7-Dimethyloct-7-en-1-ol

Chemical Property:

• Vapor Pressure: 0.0197mmHg at 25°C
• Melting Point: -4.05°C (estimate)
• Refractive Index: n20/D 1.469(lit.)
• Boiling Point: 400°Cat760mmHg
• PKA: 15.13±0.10(Predicted)
• Flash Point: 147.6°C
• PSA: 20.23000
• Density: 0.915g/cm³
• LogP: 2.75130
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 156.151415257
• Heavy Atom Count: 11
• Complexity: 107

Purity/Quality:

99%, ^*data from raw suppliers

Rhodinol mixture of L-citronellol and geraniol, FCC ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CCCC(=C)C)CCO
• Uses: Rhodinol is a flavoring agent that is a colorless liquid, with an odor resembling rose. It is soluble in most fixed oils, mineral oil, and propylene glycol, insoluble in glycerin. It is usually obtained from reunion germanium oil.

Technology Process of 3,7-Dimethyloct-7-en-1-ol

There total 10 articles about 3,7-Dimethyloct-7-en-1-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: 90.0%

3,7-dimethyl-7-octen-1-ol acetate (141-11-7) → 3,7-dimethyl-oct-7-en-1-ol (5713-07-5,6812-78-8,141-25-3)

Guidance literature:

With potassium hydroxide; In methanol; for 4h; Heating;

DOI:10.1023/A:1014439914429

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,6-dimethyl-6-heptenyl chloride → 3,7-dimethyl-oct-7-en-1-ol (5713-07-5,6812-78-8,141-25-3)

Guidance literature:

2,6-dimethyl-6-heptenyl chloride; With magnesium; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

formaldehyd; In tetrahydrofuran; for 18.5h; Reagent/catalyst; Solvent; Temperature; Reflux; Inert atmosphere;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2,6-dimethyl-6-heptenyl chloride → 3,7-dimethyl-oct-7-en-1-ol (5713-07-5,6812-78-8,141-25-3) + 3,7-dimethyl-7-octenyl formate

Guidance literature:

2,6-dimethyl-6-heptenyl chloride; With magnesium; In tetrahydrofuran; Inert atmosphere;

formaldehyd; In tetrahydrofuran; at 20 ℃; for 63.25h; Reflux; Inert atmosphere;

upstream raw materials:

3,7-dimethyl-7-octen-1-ol acetate

8-acetoxy-6-methyloctan-2-one

1-acetoxy-5-bromo-3-methylpentane

ethyl 2-acetyl-7-acetoxy-5-methylheptanoate

Downstream raw materials:

tetrahydrogeraniol

6,7-epoxycitronellol

3,7-dimethyl-1-octanal

Rhodinylacetat

Refernces

• 1、 -. "METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENOL AND METHOD FOR PRODUCING 3,7-DIMETHYL-7-OCTENYL CARBOXYLATE COMPOUND". Paragraph 0140-0148. . Retrieved 2019/07/10.