2-Methyl-5-isopropylbenzenesulfonic acid

Base Information

• Chemical Name: 2-Methyl-5-isopropylbenzenesulfonic acid
• CAS No.: 96-71-9
• Molecular Formula: C10H14O3S
• Molecular Weight: 214.285
• Hs Code.: 2904100000
• DSSTox Substance ID: DTXSID00494309
• Nikkaji Number: J27.502F
• Wikidata: Q72492241
• Mol file: 96-71-9.mol

Synonyms:96-71-9;2-METHYL-5-ISOPROPYLBENZENESULFONIC ACID;2-methyl-5-propan-2-ylbenzenesulfonic acid;SCHEMBL393740;DTXSID00494309;AKOS022773387;2-Methyl-5-(propan-2-yl)benzene-1-sulfonic acid;5-ISOPROPYL-2-METHYL-1-BENZENESULFONIC ACID

Chemical Property of 2-Methyl-5-isopropylbenzenesulfonic acid

Chemical Property:

• Refractive Index: 1.534
• PSA: 62.75000
• Density: 1.2 g/cm³
• LogP: 3.44590
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.06636548
• Heavy Atom Count: 14
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

5-ISOPROPYL-2-METHYLBENZENESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(C)C)S(=O)(=O)O

Technology Process of 2-Methyl-5-isopropylbenzenesulfonic acid

There total 6 articles about 2-Methyl-5-isopropylbenzenesulfonic acid 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: 91.0%

4-methylisopropylbenzene (99-87-6) → 5-isopropyl-2-methylbenzenesulfonic acid (96-71-9)

Guidance literature:

With sulfuric acid; at 20 ℃; for 4h;

DOI:10.1016/j.cattod.2011.12.007

Reference yield:

→ 5-isopropyl-2-methylbenzenesulfonic acid (96-71-9)

Guidance literature:

With sulfuric acid;

Reference yield:

4-methylisopropylbenzene (99-87-6) → 5-isopropyl-2-methylbenzenesulfonic acid (96-71-9)

Guidance literature:

With sulfuric acid; Trennung der Saeuren in Form ihrer Bariumsalze, von denen das Salz der 3-Sulfonsaeure in Wasser bedeutend leichter loeslich ist als das der 2-Sulfonsaeure;

upstream raw materials:

4-methylisopropylbenzene

Downstream raw materials:

carvacrol

4-isopropyl-2-hydroxybenzoic acid

4-methyl-3-sulfobenzoic acid