1,3-Dioxolane, 2-(1-ethylpentyl)-

Base Information

• Chemical Name: 1,3-Dioxolane, 2-(1-ethylpentyl)-
• CAS No.: 4359-47-1
• Molecular Formula: C10H20O2
• Molecular Weight: 172.268
• Hs Code.: 2932999099
• European Community (EC) Number: 224-436-8
• DSSTox Substance ID: DTXSID80863377
• Nikkaji Number: J205.738G
• Mol file: 4359-47-1.mol

Synonyms:1,3-Dioxolane, 2-(1-ethylpentyl)-;4359-47-1;2-heptan-3-yl-1,3-dioxolane;2-(heptan-3-yl)-1,3-dioxolane;2-(1-Ethylpentyl)-1,3-dioxolane;2-Ethylhexanal ethyleneglycol cyclic acetal;2-(3-Heptyl)-1,3-dioxolane;EINECS 224-436-8;2-ETHYL HEXANAL:CYCLOGLYCOL ACETAL;Syvertal;SCHEMBL1472438;DTXSID80863377;AKOS006273300;2-ETHYLHEXANAL ETHYLENE GLYCOL ACETAL;FT-0691273;2 - (1 - ethylpentyl) - 1,3 - dioxolane;W-109966

Chemical Property of 1,3-Dioxolane, 2-(1-ethylpentyl)-

Chemical Property:

• Vapor Pressure: 0.453mmHg at 25°C
• Refractive Index: 1.436
• Boiling Point: 200.7 °C at 760 mmHg
• Flash Point: 71.5 °C
• PSA: 18.46000
• Density: 0.911 g/cm³
• LogP: 2.57570
• Water Solubility.: 130.8mg/L at 24℃
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 172.146329876
• Heavy Atom Count: 12
• Complexity: 108

Purity/Quality:

99.9% ^*data from raw suppliers

SYVERTAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C1OCCO1

Technology Process of 1,3-Dioxolane, 2-(1-ethylpentyl)-

There total 1 articles about 1,3-Dioxolane, 2-(1-ethylpentyl)- 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%

d,l-2-ethylhexanal (123-05-7) + ethylene glycol (107-21-1) → 2-(heptan-3-yl)-1,3-dioxolane (4359-47-1)

Guidance literature:

With ammonium chloride; for 2h; Dean-Stark; Reflux; Green chemistry;

DOI:10.1039/c5gc00465a

Reference yield:

2-(heptan-3-yl)-1,3-dioxolane (4359-47-1) → ethylene glycol-2-ethylhexyl ether (1559-35-9,26468-86-0)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In ethylene glycol; at 200 ℃; for 1h; under 51680.2 Torr; Autoclave; Inert atmosphere;

upstream raw materials:

d,l-2-ethylhexanal

ethylene glycol

Downstream raw materials:

ethylene glycol-2-ethylhexyl ether