1,3,2-Dioxathiane, 5-methyl-5-propyl-, 2-oxide

Base Information

• Chemical Name: 1,3,2-Dioxathiane, 5-methyl-5-propyl-, 2-oxide
• CAS No.: 1125-06-0
• Molecular Formula: C₇H₁₄O₃S
• Molecular Weight: 178.252
• NSC Number: 25617
• DSSTox Substance ID: DTXSID90150068
• Mol file: 1125-06-0.mol

Synonyms:1125-06-0;1,3-Propanediol, 2-methyl-2-propyl-, cyclic sulfite (ester);NSC 25617;BRN 1865455;NSC25617;1,3,2-Dioxathiane, 5-methyl-5-propyl-, 2-oxide;2-Methyl-2-propyl-1,3-propanediol cyclic sulfite (ester);DTXSID90150068;NSC-25617

Chemical Property of 1,3,2-Dioxathiane, 5-methyl-5-propyl-, 2-oxide

Chemical Property:

• Vapor Pressure: 0.0969mmHg at 25°C
• Boiling Point: 231°Cat760mmHg
• Flash Point: 93.5°C
• Density: 1.19g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 178.06636548
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1(COS(=O)OC1)C

Technology Process of 1,3,2-Dioxathiane, 5-methyl-5-propyl-, 2-oxide

There total 2 articles about 1,3,2-Dioxathiane, 5-methyl-5-propyl-, 2-oxide 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:

2-methyl-2-propyl-1,3-propanediol (78-26-2) → 2-Methyl-2-propyl-propan-1,3-diyl-sulfit (1125-06-0)

Guidance literature:

With pyridine; thionyl chloride;

DOI:10.1021/jm00326a014

Reference yield:

→ 2-Methyl-2-propyl-propan-1,3-diyl-sulfit (1125-06-0)

Guidance literature:

2-Methyl-2-n-propyl-propandiol-(1,3), SOCl2;

upstream raw materials:

2-methyl-2-propyl-1,3-propanediol