Ethyl 3-hydroxy-3,7-dimethyloctanoate

Base Information

• Chemical Name: Ethyl 3-hydroxy-3,7-dimethyloctanoate
• CAS No.: 84696-81-1
• Molecular Formula: C12H24 O3
• Molecular Weight: 216.321
• Hs Code.: 2918199090
• European Community (EC) Number: 283-688-7
• DSSTox Substance ID: DTXSID601004990
• Nikkaji Number: J309.062K
• Mol file: 84696-81-1.mol

Synonyms:Ethyl 3-hydroxy-3,7-dimethyloctanoate;84696-81-1;EINECS 283-688-7;DTXSID601004990;3-Hydroxy-3,7-dimethyloctanoic acid ethyl ester

Chemical Property of Ethyl 3-hydroxy-3,7-dimethyloctanoate

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Boiling Point: 300.7°C at 760 mmHg
• Flash Point: 114.9°C
• PSA: 46.53000
• Density: 0.948g/cm³
• LogP: 2.51690
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 216.17254462
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C)(CCCC(C)C)O

Technology Process of Ethyl 3-hydroxy-3,7-dimethyloctanoate

There total 9 articles about Ethyl 3-hydroxy-3,7-dimethyloctanoate 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: 96.0%

ethyl (E)-(±)-8-((R)-2-acetoxy-2-phenylacetoxy)-3-hydroxy-3,7-dimethyloct-6-enoate → ethyl (±)-3-hydroxy-3,7-dimethyloctanoate (84696-81-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃;

DOI:10.3390/md12063352

Reference yield: 90.0%

3-hydroxy-3,7-dimethyl-oct-6-enoic acid ethyl ester (54211-39-1) → ethyl (±)-3-hydroxy-3,7-dimethyloctanoate (84696-81-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃;

DOI:10.3390/md12063352

Reference yield: 88.0%

ethyl (E)-(±)-8-acetoxy-3-hydroxy-3,7-dimethyloct-6-enoate → ethyl (±)-3-hydroxy-3,7-dimethyloctanoate (84696-81-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃;

DOI:10.3390/md12063352

upstream raw materials:

ethyl bromoacetate

6-methylheptan-2-one

ethyl iodoacetae

methyl (±)-3-hydroxy-3,7-dimethyloct-6-enoate