2-(2-Isopropyl-5-methylphenoxy)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(2-Isopropyl-5-methylphenoxy)-2-methylpropanoic acid
• CAS No.: 97283-84-6
• Molecular Formula: C₁₄H₂₀O₃
• Molecular Weight: 236.311
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID70364181
• Wikidata: Q82147995
• Mol file: 97283-84-6.mol

Synonyms:97283-84-6;2-(2-isopropyl-5-methylphenoxy)-2-methylpropanoic acid;2-(2-Isopropyl-5-methyl-phenoxy)-2-methyl-propionic acid;2-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanoic acid;2-methyl-2-[5-methyl-2-(propan-2-yl)phenoxy]propanoic acid;SCHEMBL1305941;DTXSID70364181;BBL013392;MFCD03422290;STK317928;AKOS000103435;VS-03808;CS-0314381;FT-0748568

Chemical Property of 2-(2-Isopropyl-5-methylphenoxy)-2-methylpropanoic acid

Chemical Property:

• Vapor Pressure: 1.08E-05mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 356.3°C at 760 mmHg
• Flash Point: 127.7°C
• PSA: 46.53000
• Density: 1.055g/cm³
• LogP: 3.36040
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 236.14124450
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Isopropyl-5-methyl-phenoxy)-2-methyl-propionic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of 2-(2-Isopropyl-5-methylphenoxy)-2-methylpropanoic acid

There total 5 articles about 2-(2-Isopropyl-5-methylphenoxy)-2-methylpropanoic 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:

thymol (89-83-8) → α-<5-Methyl-2-isopropyl-phenoxy>-isobuttersaeure (97283-84-6)

Guidance literature:

Multi-step reaction with 3 steps

1: absolute alcohol; sodium / Abdestillieren des Alkohols bei 150grad

3: durch Verseifung

With ethanol; sodium;

Reference yield:

thymol (89-83-8) + acetone (67-64-1) → α-<5-Methyl-2-isopropyl-phenoxy>-isobuttersaeure (97283-84-6)

Guidance literature:

With sodium hydroxide; chloroform;

Reference yield:

α-(2-isopropyl-5-methyl-phenoxy)-isobutyric acid ethyl ester → α-<5-Methyl-2-isopropyl-phenoxy>-isobuttersaeure (97283-84-6)

Guidance literature:

durch Verseifung;

upstream raw materials:

thymol

acetone

sodium 5-methyl-2-(1-methylethyl)phenolate