alpha-Methylphenethyl sulfite

Base Information

• Chemical Name: alpha-Methylphenethyl sulfite
• CAS No.: 74039-47-7
• Molecular Formula: C₁₈H₂₂O₃S
• Molecular Weight: 318.437
• DSSTox Substance ID: DTXSID90995436
• Nikkaji Number: J90.687E
• Mol file: 74039-47-7.mol

Synonyms:alpha-Methylphenethyl sulfite;BRN 3215280;74039-47-7;Sulfurous acid, bis(alpha-methylphenethyl) ester;4-06-00-03193 (Beilstein Handbook Reference);bis(1-phenylpropan-2-yl) sulfite;C18H22O3S;DTXSID90995436;C18-H22-O3-S;LS-148246;Sulfurous acid bis(alpha-methylphenethyl) ester;Benzeneethanol, .alpha.-methyl-, sulfite (2:1)

Chemical Property of alpha-Methylphenethyl sulfite

Chemical Property:

• Vapor Pressure: 1.32E-07mmHg at 25°C
• Boiling Point: 442.3°C at 760 mmHg
• Flash Point: 221.3°C
• PSA: 54.74000
• Density: 1.17g/cm³
• LogP: 4.72640
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 318.12896573
• Heavy Atom Count: 22
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=CC=C1)OS(=O)OC(C)CC2=CC=CC=C2

Technology Process of alpha-Methylphenethyl sulfite

There total 1 articles about alpha-Methylphenethyl sulfite 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:

3-phenyl-2-propanol (698-87-3,14898-87-4) → optically inactive sulfurous acid bis-(1-methyl-2-phenyl-ethyl ester) (74039-47-7)

Guidance literature:

With pyridine; thionyl chloride; diethyl ether;

DOI:10.1021/ja01634a001

upstream raw materials:

3-phenyl-2-propanol